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10 30 ABEEHN C[NH2+][C@H]1COC[C@H]1C(=O)N(C)[O-] 306579920 345457347 /nfs/dbraw/zinc/45/73/47/345457347.db2.gz NKXVGDSOKVRYSA-RITPCOANSA-N 0 3 174.200 -0.932 10 30 ABEEHN COC1(C(=O)N(C)[O-])CC[NH2+]CC1 306584825 345461536 /nfs/dbraw/zinc/46/15/36/345461536.db2.gz QILPRTDFXUCEGU-UHFFFAOYSA-N 0 3 188.227 -0.397 10 30 ABEEHN C=C[C@@H](C)ONC(N)=NN 306585679 345462530 /nfs/dbraw/zinc/46/25/30/345462530.db2.gz QUSCJRKTUCGSCW-SCSAIBSYSA-N 0 3 144.178 -0.730 10 30 ABEEHN C=C[C@H](C)ONC(N)=NN 306585678 345462684 /nfs/dbraw/zinc/46/26/84/345462684.db2.gz QUSCJRKTUCGSCW-BYPYZUCNSA-N 0 3 144.178 -0.730 10 30 ABEEHN CN([O-])C(=O)[C@@H](F)C1C[NH2+]C1 306589415 345466973 /nfs/dbraw/zinc/46/69/73/345466973.db2.gz UJAHBYDRNOAOIL-YFKPBYRVSA-N 0 3 162.164 -0.609 10 30 ABEEHN CN([O-])C(=O)[C@H](F)C1C[NH2+]C1 306589414 345467254 /nfs/dbraw/zinc/46/72/54/345467254.db2.gz UJAHBYDRNOAOIL-RXMQYKEDSA-N 0 3 162.164 -0.609 10 30 ABEEHN C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)[O-] 306607542 345482188 /nfs/dbraw/zinc/48/21/88/345482188.db2.gz IDSIIWOMLGHCCX-WDSKDSINSA-N 0 3 158.201 -0.168 10 30 ABEEHN C[C@@H]1C[NH2+]C[C@H](C(=O)N[O-])C1 306602030 345477959 /nfs/dbraw/zinc/47/79/59/345477959.db2.gz BDUOQLQLZFHZEB-NTSWFWBYSA-N 0 3 158.201 -0.263 10 30 ABEEHN C[C@@H]1C[NH2+]C[C@@H](C(=O)N[O-])C1 306602033 345477985 /nfs/dbraw/zinc/47/79/85/345477985.db2.gz BDUOQLQLZFHZEB-WDSKDSINSA-N 0 3 158.201 -0.263 10 30 ABEEHN C[C@H]1C[NH2+]C[C@H](C(=O)N[O-])C1 306602031 345478170 /nfs/dbraw/zinc/47/81/70/345478170.db2.gz BDUOQLQLZFHZEB-PHDIDXHHSA-N 0 3 158.201 -0.263 10 30 ABEEHN C[C@H]1C[NH2+]C[C@@H](C(=O)N[O-])C1 306602032 345478242 /nfs/dbraw/zinc/47/82/42/345478242.db2.gz BDUOQLQLZFHZEB-RITPCOANSA-N 0 3 158.201 -0.263 10 30 ABEEHN CN([O-])C(=O)[C@H]1CCCC[NH2+]1 306603693 345478944 /nfs/dbraw/zinc/47/89/44/345478944.db2.gz DLRGTIYNWYGZHY-ZCFIWIBFSA-N 0 3 158.201 -0.024 10 30 ABEEHN CN([O-])C(=O)[C@@H]1CCCC[NH2+]1 306603691 345479185 /nfs/dbraw/zinc/47/91/85/345479185.db2.gz DLRGTIYNWYGZHY-LURJTMIESA-N 0 3 158.201 -0.024 10 30 ABEEHN CCN([O-])C(=O)[C@H]1CCC[NH2+]1 306604109 345479599 /nfs/dbraw/zinc/47/95/99/345479599.db2.gz DVLXQQKAJNPVBO-ZCFIWIBFSA-N 0 3 158.201 -0.024 10 30 ABEEHN CCN([O-])C(=O)[C@@H]1CCC[NH2+]1 306604106 345479719 /nfs/dbraw/zinc/47/97/19/345479719.db2.gz DVLXQQKAJNPVBO-LURJTMIESA-N 0 3 158.201 -0.024 10 30 ABEEHN CN([O-])C(=O)[C@H]1C=C[C@@H]([NH3+])C1 306607403 345482010 /nfs/dbraw/zinc/48/20/10/345482010.db2.gz IAUPVUCMOTVTAQ-NTSWFWBYSA-N 0 3 156.185 -0.263 10 30 ABEEHN CN([O-])C(=O)[C@H]1C=C[C@H]([NH3+])C1 306607406 345482016 /nfs/dbraw/zinc/48/20/16/345482016.db2.gz IAUPVUCMOTVTAQ-WDSKDSINSA-N 0 3 156.185 -0.263 10 30 ABEEHN C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)[O-] 306607540 345482089 /nfs/dbraw/zinc/48/20/89/345482089.db2.gz IDSIIWOMLGHCCX-PHDIDXHHSA-N 0 3 158.201 -0.168 10 30 ABEEHN CN([O-])C(=O)[C@@H]1C=C[C@H]([NH3+])C1 306607405 345482178 /nfs/dbraw/zinc/48/21/78/345482178.db2.gz IAUPVUCMOTVTAQ-RITPCOANSA-N 0 3 156.185 -0.263 10 30 ABEEHN C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)[O-] 306607541 345482214 /nfs/dbraw/zinc/48/22/14/345482214.db2.gz IDSIIWOMLGHCCX-RITPCOANSA-N 0 3 158.201 -0.168 10 30 ABEEHN CN([O-])C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 306607404 345482296 /nfs/dbraw/zinc/48/22/96/345482296.db2.gz IAUPVUCMOTVTAQ-PHDIDXHHSA-N 0 3 156.185 -0.263 10 30 ABEEHN C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)[O-] 306607539 345482432 /nfs/dbraw/zinc/48/24/32/345482432.db2.gz IDSIIWOMLGHCCX-NTSWFWBYSA-N 0 3 158.201 -0.168 10 30 ABEEHN O=C(CCN1CCSCC1)NO 306609666 345483986 /nfs/dbraw/zinc/48/39/86/345483986.db2.gz YXVTYZVHWNXSMZ-UHFFFAOYSA-N 0 3 190.268 -0.069 10 30 ABEEHN C#CCON1CC[C@@H](N)C1=O 306611733 345486212 /nfs/dbraw/zinc/48/62/12/345486212.db2.gz HBGRAVGNMMDBLB-ZCFIWIBFSA-N 0 3 154.169 -0.889 10 30 ABEEHN CN([O-])C(=O)[C@H]1CCC[C@@H]1[NH3+] 306618320 345491608 /nfs/dbraw/zinc/49/16/08/345491608.db2.gz RZBGCEQYIDIUNG-WDSKDSINSA-N 0 3 158.201 -0.039 10 30 ABEEHN CN([O-])C(=O)[C@@H]1CCC[C@H]1[NH3+] 306618317 345491650 /nfs/dbraw/zinc/49/16/50/345491650.db2.gz RZBGCEQYIDIUNG-PHDIDXHHSA-N 0 3 158.201 -0.039 10 30 ABEEHN CN([O-])C(=O)[C@H]1CCC[C@H]1[NH3+] 306618316 345491875 /nfs/dbraw/zinc/49/18/75/345491875.db2.gz RZBGCEQYIDIUNG-NTSWFWBYSA-N 0 3 158.201 -0.039 10 30 ABEEHN CN([O-])C(=O)[C@@H]1CCC[C@@H]1[NH3+] 306618319 345491892 /nfs/dbraw/zinc/49/18/92/345491892.db2.gz RZBGCEQYIDIUNG-RITPCOANSA-N 0 3 158.201 -0.039 10 30 ABEEHN C[NH2+][C@H](C)C(=O)N(C)[O-] 306619675 345492841 /nfs/dbraw/zinc/49/28/41/345492841.db2.gz UAXMVDZNXVDBAS-SCSAIBSYSA-N 0 3 132.163 -0.558 10 30 ABEEHN C[NH2+][C@@H](C)C(=O)N(C)[O-] 306619674 345492887 /nfs/dbraw/zinc/49/28/87/345492887.db2.gz UAXMVDZNXVDBAS-BYPYZUCNSA-N 0 3 132.163 -0.558 10 30 ABEEHN C#CC(=O)NC[C@@H]1CCCN1C 306627313 345498693 /nfs/dbraw/zinc/49/86/93/345498693.db2.gz IRSMHCYXNXYSQE-QMMMGPOBSA-N 0 3 166.224 -0.170 10 30 ABEEHN Cn1cc(C#CCN)nn1 306632333 345502063 /nfs/dbraw/zinc/50/20/63/345502063.db2.gz OXXYSKNWKPFCCS-UHFFFAOYSA-N 0 3 136.158 -0.875 10 30 ABEEHN Cc1c(C#N)ccc(=O)n1CCN 306635414 345503875 /nfs/dbraw/zinc/50/38/75/345503875.db2.gz ZSCSZAJKYSXFEP-UHFFFAOYSA-N 0 3 177.207 -0.013 10 30 ABEEHN C#CCNC[C@H]1CN2CCN1CC2 306639343 345507185 /nfs/dbraw/zinc/50/71/85/345507185.db2.gz NYTYQBOKYXAGIG-JTQLQIEISA-N 0 3 179.267 -0.791 10 30 ABEEHN C#CCNC[C@@H]1CN2CCN1CC2 306639345 345507197 /nfs/dbraw/zinc/50/71/97/345507197.db2.gz NYTYQBOKYXAGIG-SNVBAGLBSA-N 0 3 179.267 -0.791 10 30 ABEEHN C#C[C@](C)(CC)NC(=O)CN 306644733 345513487 /nfs/dbraw/zinc/51/34/87/345513487.db2.gz CDMPJFWXEBNIOK-MRVPVSSYSA-N 0 3 154.213 -0.137 10 30 ABEEHN C#C[C@@](C)(CC)NC(=O)CN 306644740 345513640 /nfs/dbraw/zinc/51/36/40/345513640.db2.gz CDMPJFWXEBNIOK-QMMMGPOBSA-N 0 3 154.213 -0.137 10 30 ABEEHN N#Cc1ccc(C=NNC(=N)N)o1 306654396 345520222 /nfs/dbraw/zinc/52/02/22/345520222.db2.gz WAPNUJYPBZKJFV-NYYWCZLTSA-N 0 3 177.167 -0.032 10 30 ABEEHN CCN([O-])C(=O)[C@H]1CC[NH2+]1 306657902 345523318 /nfs/dbraw/zinc/52/33/18/345523318.db2.gz NILLSUNPBRHMEP-RXMQYKEDSA-N 0 3 144.174 -0.414 10 30 ABEEHN C[C@H]([NH3+])[C@H](C)C(=O)N(C)[O-] 306659093 345524442 /nfs/dbraw/zinc/52/44/42/345524442.db2.gz OKGSQULHYQWURR-WHFBIAKZSA-N 0 3 146.190 -0.183 10 30 ABEEHN C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)[O-] 306659091 345524494 /nfs/dbraw/zinc/52/44/94/345524494.db2.gz OKGSQULHYQWURR-RFZPGFLSSA-N 0 3 146.190 -0.183 10 30 ABEEHN C[C@H]([NH3+])[C@@H](C)C(=O)N(C)[O-] 306659092 345524702 /nfs/dbraw/zinc/52/47/02/345524702.db2.gz OKGSQULHYQWURR-UHNVWZDZSA-N 0 3 146.190 -0.183 10 30 ABEEHN C[C@H](C(=O)N(C)[O-])[C@@H](C)[NH3+] 306659090 345524753 /nfs/dbraw/zinc/52/47/53/345524753.db2.gz OKGSQULHYQWURR-CRCLSJGQSA-N 0 3 146.190 -0.183 10 30 ABEEHN CNCC#Cc1nncn1C 306661166 345525964 /nfs/dbraw/zinc/52/59/64/345525964.db2.gz NSCGGCMDBKAHPM-UHFFFAOYSA-N 0 3 150.185 -0.614 10 30 ABEEHN CN([O-])C(=O)C(C)(C)[NH3+] 306663529 345527957 /nfs/dbraw/zinc/52/79/57/345527957.db2.gz VSUCRVVWKUTTRH-UHFFFAOYSA-N 0 3 132.163 -0.429 10 30 ABEEHN C#CCN1C[C@@H](C)[C@H](C(N)=O)C1 306667798 345530271 /nfs/dbraw/zinc/53/02/71/345530271.db2.gz VURBKNRBDKZAAJ-HTQZYQBOSA-N 0 3 166.224 -0.327 10 30 ABEEHN C[C@H]1[NH2+]CCC[C@H]1C(=O)N[O-] 306684028 345544945 /nfs/dbraw/zinc/54/49/45/345544945.db2.gz YGXFXJWFYYSNLY-PHDIDXHHSA-N 0 3 158.201 -0.120 10 30 ABEEHN C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[O-] 306684027 345545288 /nfs/dbraw/zinc/54/52/88/345545288.db2.gz YGXFXJWFYYSNLY-NTSWFWBYSA-N 0 3 158.201 -0.120 10 30 ABEEHN C[C@H]1[NH2+]CCC[C@@H]1C(=O)N[O-] 306684029 345545322 /nfs/dbraw/zinc/54/53/22/345545322.db2.gz YGXFXJWFYYSNLY-RITPCOANSA-N 0 3 158.201 -0.120 10 30 ABEEHN C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[O-] 306684030 345545588 /nfs/dbraw/zinc/54/55/88/345545588.db2.gz YGXFXJWFYYSNLY-WDSKDSINSA-N 0 3 158.201 -0.120 10 30 ABEEHN C#CCONC1CNC1 306685285 345546446 /nfs/dbraw/zinc/54/64/46/345546446.db2.gz CBYGGQXOWUJEJT-UHFFFAOYSA-N 0 3 126.159 -0.887 10 30 ABEEHN CC#CCN1CC[C@H](C(N)=O)C1 306690036 345548637 /nfs/dbraw/zinc/54/86/37/345548637.db2.gz LVWUWUPPDVOGTK-QMMMGPOBSA-N 0 3 166.224 -0.183 10 30 ABEEHN CC#CCN1CC[C@@H](C(N)=O)C1 306690035 345548662 /nfs/dbraw/zinc/54/86/62/345548662.db2.gz LVWUWUPPDVOGTK-MRVPVSSYSA-N 0 3 166.224 -0.183 10 30 ABEEHN CNCC#Cc1cnn(C)n1 306689607 345548837 /nfs/dbraw/zinc/54/88/37/345548837.db2.gz LDFCEHDITNCDAF-UHFFFAOYSA-N 0 3 150.185 -0.614 10 30 ABEEHN N#Cc1nccc(OC2CNC2)n1 306692870 345550419 /nfs/dbraw/zinc/55/04/19/345550419.db2.gz QJOGTEDMKONGQO-UHFFFAOYSA-N 0 3 176.179 -0.301 10 30 ABEEHN CC#CCCN1CC[C@@](O)(C(N)=O)C1 306705228 345558935 /nfs/dbraw/zinc/55/89/35/345558935.db2.gz KNJCITUAZSNURD-JTQLQIEISA-N 0 3 196.250 -0.678 10 30 ABEEHN CC#CCCN1CC[C@](O)(C(N)=O)C1 306705229 345559040 /nfs/dbraw/zinc/55/90/40/345559040.db2.gz KNJCITUAZSNURD-SNVBAGLBSA-N 0 3 196.250 -0.678 10 30 ABEEHN CN(c1ncncc1C#N)C1CNC1 306705970 345559636 /nfs/dbraw/zinc/55/96/36/345559636.db2.gz ILHWUBYWWJDMSS-UHFFFAOYSA-N 0 3 189.222 -0.244 10 30 ABEEHN C1O[C@H]1CN1CCN2CC[C@@H]1C2 306706596 345559849 /nfs/dbraw/zinc/55/98/49/345559849.db2.gz LWMQEAMWOWONMC-BDAKNGLRSA-N 0 3 168.240 -0.225 10 30 ABEEHN C#CC(=O)N[C@@H]1CN(C)C[C@@H]1C 306710416 345563411 /nfs/dbraw/zinc/56/34/11/345563411.db2.gz MPUDSARIGCXDMJ-JGVFFNPUSA-N 0 3 166.224 -0.314 10 30 ABEEHN C#CC(=O)N[C@H]1CN(C)C[C@H]1C 306710418 345563427 /nfs/dbraw/zinc/56/34/27/345563427.db2.gz MPUDSARIGCXDMJ-SFYZADRCSA-N 0 3 166.224 -0.314 10 30 ABEEHN C#CC(=O)N[C@H]1CN(C)C[C@@H]1C 306710419 345563472 /nfs/dbraw/zinc/56/34/72/345563472.db2.gz MPUDSARIGCXDMJ-YUMQZZPRSA-N 0 3 166.224 -0.314 10 30 ABEEHN C#CC(=O)N[C@@H]1CN(C)C[C@H]1C 306710415 345563558 /nfs/dbraw/zinc/56/35/58/345563558.db2.gz MPUDSARIGCXDMJ-HTQZYQBOSA-N 0 3 166.224 -0.314 10 30 ABEEHN CN1CC[C@H](N(C)C[C@@H](N)C#N)C1 306715316 345567382 /nfs/dbraw/zinc/56/73/82/345567382.db2.gz RZCYIMYKDFQMHV-IUCAKERBSA-N 0 3 182.271 -0.527 10 30 ABEEHN CN1CC[C@H](N(C)C[C@H](N)C#N)C1 306715209 345567443 /nfs/dbraw/zinc/56/74/43/345567443.db2.gz RZCYIMYKDFQMHV-BDAKNGLRSA-N 0 3 182.271 -0.527 10 30 ABEEHN 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ABEEHN CC(C)[C@@H](N)C#Cc1nnnn1C 575486017 352334290 /nfs/dbraw/zinc/33/42/90/352334290.db2.gz DYZWHPODGHWFHR-ZETCQYMHSA-N 0 3 179.227 -0.455 10 30 ABEEHN CC(C)[C@H](N)C#Cc1nnnn1C 575486013 352334324 /nfs/dbraw/zinc/33/43/24/352334324.db2.gz DYZWHPODGHWFHR-SSDOTTSWSA-N 0 3 179.227 -0.455 10 30 ABEEHN Cn1nnnc1C#CC(C)(C)N 575488216 352347673 /nfs/dbraw/zinc/34/76/73/352347673.db2.gz PZLSQJAWORZWAP-UHFFFAOYSA-N 0 3 165.200 -0.701 10 30 ABEEHN CC[C@@](C)(N)C#Cc1nnnn1C 575488502 352348675 /nfs/dbraw/zinc/34/86/75/352348675.db2.gz SNJZCPVHXZGQFC-MRVPVSSYSA-N 0 3 179.227 -0.311 10 30 ABEEHN CC[C@](C)(N)C#Cc1nnnn1C 575488505 352348765 /nfs/dbraw/zinc/34/87/65/352348765.db2.gz SNJZCPVHXZGQFC-QMMMGPOBSA-N 0 3 179.227 -0.311 10 30 ABEEHN C[C@H]1CC[NH2+]C[C@@H]1C(=O)N[O-] 575488987 352351150 /nfs/dbraw/zinc/35/11/50/352351150.db2.gz USOBFWVOSIKDOI-WDSKDSINSA-N 0 3 158.201 -0.263 10 30 ABEEHN CCNCC#Cc1nnnn1C 575488976 352351173 /nfs/dbraw/zinc/35/11/73/352351173.db2.gz ZWFBEIYGIKNWJX-UHFFFAOYSA-N 0 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30 ABEEHN C=CC[C@@H](N)C(=O)NC[C@@H](O)C1CC1 128758379 573122750 /nfs/dbraw/zinc/12/27/50/573122750.db2.gz YVSIBOZZSFVRIR-RKDXNWHRSA-N 0 3 198.266 -0.223 10 30 ABEEHN C#CC[C@H](N)C(=O)NC[C@H](O)C1CC1 128756985 573123024 /nfs/dbraw/zinc/12/30/24/573123024.db2.gz QXJLJOZADIKHBY-IUCAKERBSA-N 0 3 196.250 -0.776 10 30 ABEEHN C#CC[C@@H](N)C(=O)N[C@H](CC)COC 128845675 573123276 /nfs/dbraw/zinc/12/32/76/573123276.db2.gz DOMJOTBZNLAUIO-RKDXNWHRSA-N 0 3 198.266 -0.122 10 30 ABEEHN C=CC[C@H](N)C(=O)NC[C@H](O)C1CC1 128757709 573123461 /nfs/dbraw/zinc/12/34/61/573123461.db2.gz YVSIBOZZSFVRIR-IUCAKERBSA-N 0 3 198.266 -0.223 10 30 ABEEHN CC(=N)NOC(=O)N(C)C 104651583 573123978 /nfs/dbraw/zinc/12/39/78/573123978.db2.gz DNQNBEOEEUCOKF-UHFFFAOYSA-N 0 3 145.162 -0.023 10 30 ABEEHN C#C[C@@H](CO)N(C)C 238296460 573124450 /nfs/dbraw/zinc/12/44/50/573124450.db2.gz XGINKYJPJMSJIS-LURJTMIESA-N 0 3 113.160 -0.458 10 30 ABEEHN C#CC[C@H](N)C(=O)NC[C@@H](O)C1CC1 128757299 573124456 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C#CC[C@H](N)C(=O)N[C@](C)(CC)CO 128866797 573129460 /nfs/dbraw/zinc/12/94/60/573129460.db2.gz LXPPMYRKLCHFNQ-WCBMZHEXSA-N 0 3 198.266 -0.386 10 30 ABEEHN COCC[C@H](N)C=O 104657861 573129746 /nfs/dbraw/zinc/12/97/46/573129746.db2.gz GMHXACHBILMYOL-YFKPBYRVSA-N 0 3 117.148 -0.451 10 30 ABEEHN COCC[C@@H](N)C=O 104657865 573131072 /nfs/dbraw/zinc/13/10/72/573131072.db2.gz GMHXACHBILMYOL-RXMQYKEDSA-N 0 3 117.148 -0.451 10 30 ABEEHN C#CC[C@H](N)C(=O)N(C)CCN(C)C 128783110 573134128 /nfs/dbraw/zinc/13/41/28/573134128.db2.gz UOFJVYUBCLQPGG-VIFPVBQESA-N 0 3 197.282 -0.643 10 30 ABEEHN C#CC[C@H](N[C@@H](C)COC)C(N)=O 308281265 573137975 /nfs/dbraw/zinc/13/79/75/573137975.db2.gz XXIVFXRXFLOZCF-YUMQZZPRSA-N 0 3 184.239 -0.512 10 30 ABEEHN C#CC[C@@H](N)C(=O)NCCSC 128808198 573138122 /nfs/dbraw/zinc/13/81/22/573138122.db2.gz FXBCMQYEOIRCAQ-SSDOTTSWSA-N 0 3 186.280 -0.184 10 30 ABEEHN C#CC[C@@H](N[C@H](C)COC)C(N)=O 308281257 573138290 /nfs/dbraw/zinc/13/82/90/573138290.db2.gz 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128940383 573141066 /nfs/dbraw/zinc/14/10/66/573141066.db2.gz KVQWHRXPTWEDEK-MRVPVSSYSA-N 0 3 194.238 -0.071 10 30 ABEEHN C#C[C@H](CC)NC[C@H](O)C(=O)OC 308200900 573141099 /nfs/dbraw/zinc/14/10/99/573141099.db2.gz PSHUVNPYLYEKLA-SFYZADRCSA-N 0 3 185.223 -0.478 10 30 ABEEHN COC[C@H](N)c1cc(C#N)n[nH]1 259341401 573141241 /nfs/dbraw/zinc/14/12/41/573141241.db2.gz CFCYPSXIUXLLAN-LURJTMIESA-N 0 3 166.184 -0.072 10 30 ABEEHN COC[C@@H](N)c1cc(C#N)n[nH]1 259341408 573142122 /nfs/dbraw/zinc/14/21/22/573142122.db2.gz CFCYPSXIUXLLAN-ZCFIWIBFSA-N 0 3 166.184 -0.072 10 30 ABEEHN Cn1nc(C#N)c2c1CNCC2 258537432 573142525 /nfs/dbraw/zinc/14/25/25/573142525.db2.gz OALFDOXZXUCWOC-UHFFFAOYSA-N 0 3 162.196 -0.063 10 30 ABEEHN N#CCNC[C@H]1CN2CCC[C@@H]2CO1 85790737 573142601 /nfs/dbraw/zinc/14/26/01/573142601.db2.gz QMPYUIGIVOFCBX-ZJUUUORDSA-N 0 3 195.266 -0.037 10 30 ABEEHN N#CCNC[C@@H]1CN2CCC[C@H]2CO1 85790736 573142751 /nfs/dbraw/zinc/14/27/51/573142751.db2.gz QMPYUIGIVOFCBX-VHSXEESVSA-N 0 3 195.266 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