RInChI=0.03.1S/C13H13BrN2O2/c1-2-18-13(17)9-5-8-6-10(14)3-4-11(8)16-12(15)7-9/h3-6H,2,7H2,1H3,(H2,15,16)!C7H6BF3O2/c9-7(10,11)5-2-1-3-6(4-5)8(12)13/h1-4,12-13H!CH2O3.2Cs/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2<>C20H17F3N2O2/c1-2-27-19(26)15-9-14-8-13(6-7-17(14)25-18(24)11-15)12-4-3-5-16(10-12)20(21,22)23/h3-10H,2,11H2,1H3,(H2,24,25)<>C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/d+

RAuxInfo=0.03.1/1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18/rA:18CCCCCCCCCCCCCBrNNOO/rB:s1;;d3;;;;s5s6;d5s7;s3d6;s4d8;s7;s9;s10;d12;s11s12;d13;s2s13;/rC:;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5,6,7,8,9,10,11,12,13/E:(9,10,11)(12,13)/rA:13CCCCCCCBFFFOO/rB:d1;s1;;s2d4;d3s4;s5;s6;s7;s7;s7;s8;s8;/rC:;;;;;;;;;;;;;!1/N:1,2,3,4;5;6/E:(2,3,4);;/rA:6COO-O-Cs+Cs+/rB:d1;s1;s1;;;/rC:;;;;;;<>1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27/E:(21,22,23)/rA:27CCCCCCCCCCCCCCCCCCCCFFFNNOO/rB:s1;;d3;s3;;d6;;;;;s4d10;s6d8s12;s8s9;d9s11;d5s10;s7d14;s11;s15;s16;s20;s20;s20;d18;s17s18;d19;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2,3,4,5,6,7/E:(3,4)(5,6)/rA:7CCCCCCC/rB:;d2;s2;s3;d4;s1d5s6;/rC:;;;;;;;

Long-RInChIKey=SA-FUHFF-IXPNXVXHRMYNLR-UHFFFAOYSA-N-WOAORAPRPVIATR-UHFFFAOYSA-N-FJDQFPXHSGXQBY-UHFFFAOYSA-L--UBPSSDNMNOLOOY-UHFFFAOYSA-N--YXFVVABEGXRONW-UHFFFAOYSA-N

Short-RInChIKey=SA-FUHFF-LBYLOUHPQU-UBPSSDNMNO-YXFVVABEGX-LUHFF-NUHFF-NUHFF-ZZZ

Web-RInChIKey=OBWDHGPVISFGSCWQB-LUHFFFADPSCTJSA