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19167255 169236537 /nfs/dbraw/zinc/23/65/37/169236537.db2.gz YPUVCRHGWOZRMD-UHFFFAOYSA-N 0 0 158.165 -2.709 40 0 AAABRN NNC1=CC(=O)OC1 75518628 169236630 /nfs/dbraw/zinc/23/66/30/169236630.db2.gz YRAWZBPBCPDJPT-UHFFFAOYSA-N 0 0 114.104 -1.110 40 0 AAABRN NNN1CCN(N)CC1 19167661 169236686 /nfs/dbraw/zinc/23/66/86/169236686.db2.gz RSUAPDWSHYWECE-UHFFFAOYSA-N 0 0 131.183 -2.144 40 0 AAABRN NNc1cc(=O)[nH]c(=O)[nH]1 3954328 169237034 /nfs/dbraw/zinc/23/70/34/169237034.db2.gz QGIANYJQIJBTRC-UHFFFAOYSA-N 0 0 142.118 -1.512 40 0 in-vitro AAABRN NN[C@@H]1NNC(=S)N1N 19172873 169237481 /nfs/dbraw/zinc/23/74/81/169237481.db2.gz FAQKESIYJKTIRR-PVQJCKRUSA-N 0 0 148.195 -2.698 40 0 AAABRN NNc1cc(=O)nc(N)[nH]1 17301927 169237773 /nfs/dbraw/zinc/23/77/73/169237773.db2.gz LUWPFMIHXOPDBK-UHFFFAOYSA-N 0 0 141.134 -1.362 40 0 AAABRN NN[C@H]1NNC(=S)N1N 19171204 169237800 /nfs/dbraw/zinc/23/78/00/169237800.db2.gz FAQKESIYJKTIRR-SFOWXEAESA-N 0 0 148.195 -2.698 40 0 AAABRN NNc1c[nH]c(=O)[nH]c1=O 28047607 169237812 /nfs/dbraw/zinc/23/78/12/169237812.db2.gz RPHPAUARVIYUFT-UHFFFAOYSA-N 0 0 142.118 -1.651 40 0 AAABRN NNc1n[nH]c(=O)n1N 6494789 169239025 /nfs/dbraw/zinc/23/90/25/169239025.db2.gz XEXYNXMPPHFRSP-UHFFFAOYSA-N 0 0 130.111 -2.429 40 0 AAABRN NNc1ncnn1N 5605238 169239431 /nfs/dbraw/zinc/23/94/31/169239431.db2.gz QGXJJFRKOTWZTD-UHFFFAOYSA-N 0 0 114.112 -1.723 40 0 AAABRN NOC[C@@H]([NH3+])C(=O)[O-] 1713589 169239584 /nfs/dbraw/zinc/23/95/84/169239584.db2.gz SMQMVYPLQGWEGE-UWTATZPHSA-N 0 0 120.108 -1.711 40 0 AAABRN NOC[C@H]([NH3+])C(=O)[O-] 1760187 169240090 /nfs/dbraw/zinc/24/00/90/169240090.db2.gz SMQMVYPLQGWEGE-REOHCLBHSA-N 0 0 120.108 -1.711 40 0 AAABRN NS(=O)(=O)CS(N)(=O)=O 100468984 169240457 /nfs/dbraw/zinc/24/04/57/169240457.db2.gz GLHHEOGXHDJORJ-UHFFFAOYSA-N 0 0 174.203 -2.479 40 0 AAABRN NS(=O)(=O)c1cc(=O)[nH]c(=O)[nH]1 1666761 169241003 /nfs/dbraw/zinc/24/10/03/169241003.db2.gz UGTUDBJNUBFRBX-UHFFFAOYSA-N 0 0 191.168 -2.289 40 0 AAABRN NS(=O)(=O)N1CCC(=O)CC1 12877943 169241234 /nfs/dbraw/zinc/24/12/34/169241234.db2.gz SABYEUDGTTYDPC-UHFFFAOYSA-N 0 0 178.213 -1.145 40 0 AAABRN [NH3+][C@@H](C(=O)[O-])[C@H](O)c1c[nH]cn1 13283582 169241710 /nfs/dbraw/zinc/24/17/10/169241710.db2.gz KQMBIBBJWXGSEI-RFZPGFLSSA-N 0 0 171.156 -1.145 40 0 in-vitro AAABRN [NH3+][C@@H](C(=O)[O-])[C@H](O)CO 5502281 169241873 /nfs/dbraw/zinc/24/18/73/169241873.db2.gz JBNUARFQOCGDRK-PWNYCUMCSA-N 0 0 135.119 -2.249 40 0 endogenous,in-man AAABRN [NH3+][C@@H](C(=O)[O-])[C@@H](O)c1c[nH]cn1 13283581 169242421 /nfs/dbraw/zinc/24/24/21/169242421.db2.gz KQMBIBBJWXGSEI-UHNVWZDZSA-N 0 0 171.156 -1.145 40 0 in-vitro AAABRN [NH3+][C@@H](CN(CCO)CCO)C(=O)[O-] 26893463 169244041 /nfs/dbraw/zinc/24/40/41/169244041.db2.gz OZTZVVQSQNDKPB-LURJTMIESA-N 0 0 192.215 -2.315 40 0 AAABRN [NH3+][C@@H](CCS(=O)(=O)NO)C(=O)[O-] 1559820 169244264 /nfs/dbraw/zinc/24/42/64/169244264.db2.gz SCIPDBIDGZNRJV-VKHMYHEASA-N 0 0 198.200 -1.903 40 0 AAABRN [NH3+][C@@H](CNO)C(=O)[O-] 2380421 169244352 /nfs/dbraw/zinc/24/43/52/169244352.db2.gz VIFOGXGRPDRQHS-REOHCLBHSA-N 0 0 120.108 -1.623 40 0 in-vitro AAABRN NS(=O)(=O)CC[C@H]([NH3+])C(=O)[O-] 1596720 169244862 /nfs/dbraw/zinc/24/48/62/169244862.db2.gz DBJCKYLNABMIDC-VKHMYHEASA-N 0 0 182.201 -1.923 40 0 AAABRN [NH3+][C@@H](CO)C(=O)N[C@@H](CO)C(=O)[O-] 2556659 169244974 /nfs/dbraw/zinc/24/49/74/169244974.db2.gz XZKQVQKUZMAADP-IMJSIDKUSA-N 0 0 192.171 -3.132 40 0 endogenous,in-man AAABRN NS(=O)(=O)C[C@H]([NH3+])C(=O)[O-] 5411208 169245995 /nfs/dbraw/zinc/24/59/95/169245995.db2.gz WDOCIKSRUBWQFT-REOHCLBHSA-N 0 0 168.174 -2.313 40 0 in-vitro AAABRN Nc1c(O)[nH]c(=O)[nH]c1=S 2043070 169249057 /nfs/dbraw/zinc/24/90/57/169249057.db2.gz VPEFFZBZEHLUKT-PVQJCKRUSA-N 0 0 159.170 -1.520 40 0 in-vitro AAABRN [NH3+][C@@H]1CC(=O)N[C@@H](C(=O)[O-])C1 82405771 169250275 /nfs/dbraw/zinc/25/02/75/169250275.db2.gz ZYTHBEQVQCXRSQ-IUYQGCFVSA-N 0 0 158.157 -1.323 40 0 AAABRN [NH3+][C@@H]1CC(=O)N[C@H](C(=O)[O-])C1 82405769 169250358 /nfs/dbraw/zinc/25/03/58/169250358.db2.gz ZYTHBEQVQCXRSQ-IMJSIDKUSA-N 0 0 158.157 -1.323 40 0 AAABRN N[C@@H]1C(=O)O[C@@H]([C@H](O)CO)[C@@H]1O 5395747 169250478 /nfs/dbraw/zinc/25/04/78/169250478.db2.gz OEYRSQGHANBDJZ-LECHCGJUSA-N 0 0 177.156 -3.047 40 0 AAABRN N[C@@H]1C=NNC1=O 103010898 169250544 /nfs/dbraw/zinc/25/05/44/169250544.db2.gz USGNZHHNWYDCTC-UWTATZPHSA-N 0 0 99.093 -1.571 40 0 AAABRN N[C@@H]1C(=O)O[C@H]([C@H](O)CO)[C@@H]1O 5395745 169250644 /nfs/dbraw/zinc/25/06/44/169250644.db2.gz OEYRSQGHANBDJZ-KKQCNMDGSA-N 0 0 177.156 -3.047 40 0 AAABRN N[C@@H]1C(=O)O[C@@H]([C@@H](O)CO)[C@@H]1O 5395746 169250765 /nfs/dbraw/zinc/25/07/65/169250765.db2.gz OEYRSQGHANBDJZ-KLVWXMOXSA-N 0 0 177.156 -3.047 40 0 AAABRN N[C@@H]1C(=O)O[C@H]([C@@H](O)CO)[C@@H]1O 5395744 169250975 /nfs/dbraw/zinc/25/09/75/169250975.db2.gz OEYRSQGHANBDJZ-QMKXCQHVSA-N 0 0 177.156 -3.047 40 0 AAABRN [NH3+][C@@H]1CCO[N-]C1=O 29208025 169254825 /nfs/dbraw/zinc/25/48/25/169254825.db2.gz WUVDISMUKXOSPH-GSVOUGTGSA-N 0 0 116.120 -1.235 40 0 AAABRN [NH3+][C@@H]1CC[S@](=O)[C@@H]1C(=O)[O-] 199767201 169255488 /nfs/dbraw/zinc/25/54/88/169255488.db2.gz CTLQISJAVPQCBH-XTZAULBFSA-N 0 0 163.198 -1.081 40 0 AAABRN [NH3+][C@@H]1CC[C@@H](C(=O)[O-])NC1=O 39058040 169255729 /nfs/dbraw/zinc/25/57/29/169255729.db2.gz PXGAAHSFAXAXBD-DMTCNVIQSA-N 0 0 158.157 -1.323 40 0 AAABRN [NH3+][C@@H]1CC[S@@](=O)[C@@H]1C(=O)[O-] 199767178 169255994 /nfs/dbraw/zinc/25/59/94/169255994.db2.gz CTLQISJAVPQCBH-UJRDIJSZSA-N 0 0 163.198 -1.081 40 0 AAABRN [NH3+][C@@H]1CC[C@H](C(=O)[O-])NC1=O 39058039 169256079 /nfs/dbraw/zinc/25/60/79/169256079.db2.gz PXGAAHSFAXAXBD-QWWZWVQMSA-N 0 0 158.157 -1.323 40 0 AAABRN [NH3+][C@@H]1CNC1=O 39373033 169256350 /nfs/dbraw/zinc/25/63/50/169256350.db2.gz GCBWDZYSLVSRRI-UWTATZPHSA-N 0 0 86.094 -1.557 40 0 AAABRN [NH3+][C@@H]1C[NH2+]C[C@H]1C(=O)[O-] 26895009 169257114 /nfs/dbraw/zinc/25/71/14/169257114.db2.gz RMNHPXDNGOBDOT-QWWZWVQMSA-N 0 0 130.147 -1.382 40 0 AAABRN [NH3+][C@@H]1C[NH2+]C[C@@H]1C(=O)[O-] 26895003 169257815 /nfs/dbraw/zinc/25/78/15/169257815.db2.gz RMNHPXDNGOBDOT-IUYQGCFVSA-N 0 0 130.147 -1.382 40 0 AAABRN N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O 31538664 169259237 /nfs/dbraw/zinc/25/92/37/169259237.db2.gz WCWOEQFAYSXBRK-RWOPYEJCSA-N 0 0 179.172 -3.255 40 0 in-vitro,metabolite AAABRN N[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O 35051192 169259548 /nfs/dbraw/zinc/25/95/48/169259548.db2.gz WCWOEQFAYSXBRK-BYIBVSMXSA-N 0 0 179.172 -3.255 40 0 in-vitro,metabolite AAABRN [NH3+][C@@H]1C[S@](=O)C[C@@H]1C(=O)[O-] 196509786 169260182 /nfs/dbraw/zinc/26/01/82/169260182.db2.gz TXKYIFWJUZZIFA-BEYFKIBESA-N 0 0 163.198 -1.223 40 0 AAABRN [NH3+][C@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@H](O)CO 4544871 169261850 /nfs/dbraw/zinc/26/18/50/169261850.db2.gz UFYKDFXCZBTLOO-MGCNEYSASA-N 0 0 195.171 -3.527 40 0 AAABRN [NH3+][C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H](O)CO 4544874 169261852 /nfs/dbraw/zinc/26/18/52/169261852.db2.gz UFYKDFXCZBTLOO-KKQCNMDGSA-N 0 0 195.171 -3.527 40 0 in-vitro AAABRN [NH3+][C@H](C(=O)[O-])[C@@H](O)c1c[nH]cn1 5973788 169262049 /nfs/dbraw/zinc/26/20/49/169262049.db2.gz KQMBIBBJWXGSEI-WHFBIAKZSA-N 0 0 171.156 -1.145 40 0 in-vitro AAABRN [NH3+][C@H](C(=O)[O-])[C@H](O)c1c[nH]cn1 13283580 169262285 /nfs/dbraw/zinc/26/22/85/169262285.db2.gz KQMBIBBJWXGSEI-CRCLSJGQSA-N 0 0 171.156 -1.145 40 0 in-vitro AAABRN [NH3+][C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@@H](O)CO 4544873 169262399 /nfs/dbraw/zinc/26/23/99/169262399.db2.gz UFYKDFXCZBTLOO-QMKXCQHVSA-N 0 0 195.171 -3.527 40 0 AAABRN [NH3+][C@H](C(=O)[O-])[C@H]1ON=C(Cl)[C@@H]1O 100305210 169262583 /nfs/dbraw/zinc/26/25/83/169262583.db2.gz KUYDILDQEMQBKJ-ZVHKOUPVSA-N 0 0 194.574 -1.290 40 0 in-vitro AAABRN [NH3+][C@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@@H](O)CO 4544869 169262619 /nfs/dbraw/zinc/26/26/19/169262619.db2.gz UFYKDFXCZBTLOO-NEEWWZBLSA-N 0 0 195.171 -3.527 40 0 AAABRN [NH3+][C@H](C(=O)[O-])[C@@H]1ON=C(Cl)[C@@H]1O 100305207 169262873 /nfs/dbraw/zinc/26/28/73/169262873.db2.gz KUYDILDQEMQBKJ-MGGFGJSXSA-N 0 0 194.574 -1.290 40 0 in-vitro AAABRN [NH3+][C@H](C(=O)[O-])[C@H]1ON=C(Cl)[C@H]1O 6072510 169262903 /nfs/dbraw/zinc/26/29/03/169262903.db2.gz KUYDILDQEMQBKJ-XZIMBLGRSA-N 0 0 194.574 -1.290 40 0 in-vitro AAABRN [NH3+][C@H](CCS(=O)(=O)NO)C(=O)[O-] 2030502 169264832 /nfs/dbraw/zinc/26/48/32/169264832.db2.gz SCIPDBIDGZNRJV-GSVOUGTGSA-N 0 0 198.200 -1.903 40 0 AAABRN [NH3+][C@H](CO)C(=O)NCC(=O)[O-] 2022602 169265083 /nfs/dbraw/zinc/26/50/83/169265083.db2.gz WOUIMBGNEUWXQG-GSVOUGTGSA-N 0 0 162.145 -2.493 40 0 endogenous,in-man AAABRN [NH3+][C@H](CNO)C(=O)[O-] 1610368 169265164 /nfs/dbraw/zinc/26/51/64/169265164.db2.gz VIFOGXGRPDRQHS-UWTATZPHSA-N 0 0 120.108 -1.623 40 0 in-vitro AAABRN NS(=O)(=O)CC[C@@H]([NH3+])C(=O)[O-] 5410811 169265189 /nfs/dbraw/zinc/26/51/89/169265189.db2.gz DBJCKYLNABMIDC-GSVOUGTGSA-N 0 0 182.201 -1.923 40 0 AAABRN [NH3+][C@H](CN(O)N=O)C(=O)[O-] 5131899 169265735 /nfs/dbraw/zinc/26/57/35/169265735.db2.gz MLFKVJCWGUZWNV-UWTATZPHSA-N 0 0 149.106 -1.229 40 0 in-vivo AAABRN NS(=O)(=O)C[C@@H]([NH3+])C(=O)[O-] 4972904 169268732 /nfs/dbraw/zinc/26/87/32/169268732.db2.gz WDOCIKSRUBWQFT-UWTATZPHSA-N 0 0 168.174 -2.313 40 0 in-vitro AAABRN Nc1c(O)[nH]c(=O)[nH]c1=S 1683502 169269109 /nfs/dbraw/zinc/26/91/09/169269109.db2.gz VPEFFZBZEHLUKT-SFOWXEAESA-N 0 0 159.170 -1.520 40 0 in-vitro AAABRN [NH3+][C@H]1CC(=O)N[C@@H](C(=O)[O-])C1 82405772 169271107 /nfs/dbraw/zinc/27/11/07/169271107.db2.gz ZYTHBEQVQCXRSQ-QWWZWVQMSA-N 0 0 158.157 -1.323 40 0 AAABRN [NH3+][C@H]1CC(=O)N[C@H](C(=O)[O-])C1 82405770 169271382 /nfs/dbraw/zinc/27/13/82/169271382.db2.gz ZYTHBEQVQCXRSQ-DMTCNVIQSA-N 0 0 158.157 -1.323 40 0 AAABRN N[C@H]1C=NNC1=O 103010903 169271537 /nfs/dbraw/zinc/27/15/37/169271537.db2.gz USGNZHHNWYDCTC-REOHCLBHSA-N 0 0 99.093 -1.571 40 0 AAABRN [NH3+][C@H]1CCO[N-]C1=O 29208029 169274639 /nfs/dbraw/zinc/27/46/39/169274639.db2.gz WUVDISMUKXOSPH-VKHMYHEASA-N 0 0 116.120 -1.235 40 0 AAABRN [NH3+][C@H]1CC[C@@H](C(=O)[O-])NC1=O 33986000 169275847 /nfs/dbraw/zinc/27/58/47/169275847.db2.gz PXGAAHSFAXAXBD-IMJSIDKUSA-N 0 0 158.157 -1.323 40 0 AAABRN [NH3+][C@H]1CC[C@H](C(=O)[O-])NC1=O 39058041 169276264 /nfs/dbraw/zinc/27/62/64/169276264.db2.gz PXGAAHSFAXAXBD-IUYQGCFVSA-N 0 0 158.157 -1.323 40 0 AAABRN [NH3+][C@H]1CO[C@@H]1C(=O)[O-] 13356048 169276957 /nfs/dbraw/zinc/27/69/57/169276957.db2.gz UTIYGJDWWLIDQY-HRFVKAFMSA-N 0 0 117.104 -1.203 40 0 AAABRN [NH3+][C@H]1CO[C@H]1C(=O)[O-] 5157071 169277066 /nfs/dbraw/zinc/27/70/66/169277066.db2.gz UTIYGJDWWLIDQY-STHAYSLISA-N 0 0 117.104 -1.203 40 0 in-vitro AAABRN [NH3+][C@H]1[C@@H](C(=O)[O-])C[C@H]1O 39082993 169279891 /nfs/dbraw/zinc/27/98/91/169279891.db2.gz GSVBSCHJNFKMTR-NUNKFHFFSA-N 0 0 131.131 -1.221 40 0 AAABRN N[C@H]1N=NNN1 97950843 169280067 /nfs/dbraw/zinc/28/00/67/169280067.db2.gz IPXIYAKSOSBXGA-UHFFFAOYSA-N 0 0 87.086 -1.296 40 0 AAABRN [NH3+][C@]1(C(=O)[O-])C[C@@H]1CO 4202459 169280882 /nfs/dbraw/zinc/28/08/82/169280882.db2.gz ZPCQSJYTXRPREU-NQXXGFSBSA-N 0 0 131.131 -1.219 40 0 AAABRN Nc1c(O)[nH]c(=O)[nH]c1=O 2572198 169283023 /nfs/dbraw/zinc/28/30/23/169283023.db2.gz CTHDLKQXDSETJA-UHFFFAOYSA-N 0 0 143.102 -1.649 40 0 AAABRN Nc1cc(=O)[nH]c2cnnn12 6499692 169284018 /nfs/dbraw/zinc/28/40/18/169284018.db2.gz ZSIRRFVXHLEEEQ-UHFFFAOYSA-N 0 0 151.129 -1.000 40 0 AAABRN Nc1c2ncnc-2nc(O)n1O 17174318 169284234 /nfs/dbraw/zinc/28/42/34/169284234.db2.gz CZFQBPKQFTUMOH-UHFFFAOYSA-N 0 0 167.128 -1.121 40 0 AAABRN Nc1ccnc(N)[n+]1[O-] 21984663 169299541 /nfs/dbraw/zinc/29/95/41/169299541.db2.gz SGHQFNHCCOBUKB-UHFFFAOYSA-N 0 0 126.119 -1.121 40 0 in-vitro AAABRN Nc1ccn(CCO)c(=O)n1 1625220 169300112 /nfs/dbraw/zinc/30/01/12/169300112.db2.gz ATQNWDREMOIFSG-UHFFFAOYSA-N 0 0 155.157 -1.182 40 0 AAABRN Nc1cn2ncnc2c(=O)[nH]1 1580007 169300243 /nfs/dbraw/zinc/30/02/43/169300243.db2.gz DXFACOSFRFFEQI-UHFFFAOYSA-N 0 0 151.129 -1.000 40 0 AAABRN Nc1n[nH]c(-n2ncnc2N)n1 95116178 169303500 /nfs/dbraw/zinc/30/35/00/169303500.db2.gz IZIAZNOLMMKAOR-UHFFFAOYSA-N 0 0 166.148 -1.450 40 0 AAABRN Nc1nc(=O)n(C[C@@H](O)CO)s1 8655469 169304390 /nfs/dbraw/zinc/30/43/90/169304390.db2.gz BTQHPUJKFFDNBR-GSVOUGTGSA-N 0 0 191.212 -1.760 40 0 AAABRN Nc1nc(=O)cc(NCCO)[nH]1 17314283 169304464 /nfs/dbraw/zinc/30/44/64/169304464.db2.gz BFYURLDNKXKHHL-UHFFFAOYSA-N 0 0 170.172 -1.244 40 0 AAABRN Nc1nc(=O)c2c([nH]1)N[C@@H](O)N2 39132896 169304524 /nfs/dbraw/zinc/30/45/24/169304524.db2.gz PQCYNJFGLQGFKP-YFKPBYRVSA-N 0 0 169.144 -1.535 40 0 in-vitro AAABRN Nc1nc(=O)[nH]c(N)c1NC=O 25491813 169304609 /nfs/dbraw/zinc/30/46/09/169304609.db2.gz AHXJACDFUOFICJ-UHFFFAOYSA-N 0 0 169.144 -1.497 40 0 AAABRN Nc1n[nH]nc1NC=O 5380621 169304880 /nfs/dbraw/zinc/30/48/80/169304880.db2.gz DUTSNWIVGOSIBW-UHFFFAOYSA-N 0 0 127.107 -1.045 40 0 AAABRN Nc1nc(=O)c2c([nH]1)N[C@H](O)N2 39132895 169304901 /nfs/dbraw/zinc/30/49/01/169304901.db2.gz PQCYNJFGLQGFKP-RXMQYKEDSA-N 0 0 169.144 -1.535 40 0 in-vitro AAABRN Nc1[nH]c(=O)nc2[nH]c(=O)[nH]c12 95617504 169304917 /nfs/dbraw/zinc/30/49/17/169304917.db2.gz XFBOJHLYDJZYSP-UHFFFAOYSA-N 0 0 167.128 -1.478 40 0 endogenous,in-man AAABRN Nc1nc(=O)n(C[C@H](O)CO)s1 17176697 169304974 /nfs/dbraw/zinc/30/49/74/169304974.db2.gz BTQHPUJKFFDNBR-VKHMYHEASA-N 0 0 191.212 -1.760 40 0 AAABRN NC1=NC(=O)NC(N)C1=O 75528344 169304983 /nfs/dbraw/zinc/30/49/83/169304983.db2.gz AISHJCXJEDKYDF-UHFFFAOYSA-N 0 0 142.118 -1.360 40 0 AAABRN Nc1[nH]c(=O)nc2c1cnn2CCO 3852436 169305147 /nfs/dbraw/zinc/30/51/47/169305147.db2.gz YNDLRLNLLUMHEE-UHFFFAOYSA-N 0 0 195.182 -1.306 40 0 AAABRN Nc1nc(N)[n+]([O-])c(N)c1NCO 1705604 169305324 /nfs/dbraw/zinc/30/53/24/169305324.db2.gz AYJGVWFCMWLMHL-UHFFFAOYSA-N 0 0 186.175 -2.177 40 0 in-vitro AAABRN Nc1nc(N)n(N)c(=S)n1 6494845 169305688 /nfs/dbraw/zinc/30/56/88/169305688.db2.gz CFAFJVLIEWUMEI-UHFFFAOYSA-N 0 0 158.190 -1.114 40 0 AAABRN Nc1nc(N)c(NC(=O)CO)c(N)n1 4963606 169305712 /nfs/dbraw/zinc/30/57/12/169305712.db2.gz URCUQFZFCGXHNR-UHFFFAOYSA-N 0 0 198.186 -1.846 40 0 AAABRN Nc1nc(NCO)nc(NCO)n1 5178906 169305861 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