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23 1 0 0 0 0 9 25 1 0 0 0 0 22 10 1 0 0 0 0 10 27 1 0 0 0 0 10 50 1 0 0 0 0 11 28 2 0 0 0 0 12 29 1 0 0 0 0 12 31 2 0 0 0 0 13 31 1 0 0 0 0 13 55 1 0 0 0 0 13 56 1 0 0 0 0 14 17 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 18 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 20 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 25 1 0 0 0 0 22 47 1 0 0 0 0 23 26 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 51 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 M CHG 2 4 -1 8 1 M END > 22 10 5 12 29 8 12 31 8 2 30 8 2 31 8 21 46 6 29 30 8 > InChI=1S/C19H24N6O5S2/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29)/b23-12-/t13-,17-/m1/s1 > HVFLCNVBZFFHBT-ZKDACBOMSA-N > 1/2/N:19,32,17,18,14,15,16,24,30,20,29,28,22,23,27,25,21,26,31,13,12,10,11,9,8,6,3,4,5,7,1,2/E:(3,4)(5,6)(28,29)/it:im/CRV:25+1,28-1/rA:56cSSOO-OOON+NNNNNCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;s7;;;s8;s8;s8;s14;s15s17;s8;s16;s1s9;s10s21;s9d20;s1s20;d3s9s22;s4d5s23;d6s10;d11s27;s12s28;s2d29;s2d12s13;s7;s14;s14;s15;s15;s16;s16;s17;s17;s18;s18;s19;s19;s19;s21;s22;s24;s24;s10;s30;s32;s32;s32;s13;s13;/rC:1.7168,-.2816,-.5824;5.2006,5.2067,1.4645;-2.0261,1.3034,-2.3093;-2.2256,-1.1807,-3.8065;-2.7819,-2.5555,-2.4632;2.487,3.2424,-1.6859;-.7064,4.4889,.3392;-1.0665,-3.9967,.3298;-.3053,-.2381,-2.2012;.5007,2.5524,-1.1899;.4256,4.6918,.6068;2.6566,5.679,1.6747;3.987,6.8781,3.1477;-1.4618,-5.4403,.4956;-2.4239,-3.3748,.4993;-.4099,-3.7507,-1.0249;-2.5275,-5.5095,1.6161;-3.1372,-4.0928,1.6635;-.1467,-3.5739,1.4559;.0073,-2.3755,-1.3851;.9886,.2701,-2.1434;.3544,1.6765,-2.2649;-.7414,-1.4863,-2.1044;1.3915,-2.0154,-.9866;-.8627,.9282,-2.2706;-1.9209,-1.7478,-2.7625;1.5174,3.33,-.9403;1.52,4.231,.099;2.6814,4.7385,.7093;4.0224,4.3883,.498;3.8509,6.0158,2.177;-1.766,5.0249,.9346;-.6151,-6.102,.7022;-1.9252,-5.8432,-.4152;-2.3973,-2.2893,.6345;-3.0725,-3.5647,-.3579;.4657,-4.4073,-1.1004;-1.0185,-4.1609,-1.8334;-3.2841,-6.2707,1.4098;-2.0543,-5.7533,2.5709;-4.2244,-4.0996,1.5463;-2.9104,-3.5916,2.6084;.8201,-4.0793,1.3977;.0219,-2.4949,1.456;-.5134,-3.7898,2.4602;1.6015,-.006,-3.0085;.499,2.1537,-3.2391;2.0557,-2.292,-1.8088;1.7844,-2.5648,-.1336;-.2117,2.5725,-.5839;4.3467,3.6883,-.1679;-2.6601,4.6048,.4725;-1.7888,4.7869,2.0005;-1.7884,6.1086,.8025;3.2523,7.3787,3.4367;4.8186,6.9893,3.5607; > C19 H24 N6 O5 S2 > 480.5611 > S1C([H])([H])C(=C(C(=O)[O-])N2C([C@]([H])([C@@]12[H])N([H])C(/C(/C1=C([H])SC(N([H])[H])=N1)=N\OC([H])([H])[H])=O)=O)C([H])([H])[N+]1(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H] > 4586395 $$$$