datamol-io/safe-gpt · Datasets at Hugging Face

input stringlengths 7 3.57k	mc_labels sequence
CC3C.O35.c15cccnc18.c18ccc4cc1.C74=O.N76.C6C9.[NH+]9(C)C	[ 328.20195349209, 0.3684210526315789, 5, 2, 2, 5, 24, 7, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]
Cc1cc2ccncc2nc18.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C	[ 335.18663777609004, 0.25, 5, 2, 3, 5, 25, 5, 0, 0, 0, 0, 1, 2, 3, 0, 0, 0 ]
Cc1cc2cccnc2c8n1.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C	[ 335.18663777609004, 0.25, 5, 2, 3, 5, 25, 5, 0, 0, 0, 0, 1, 2, 3, 0, 0, 0 ]
Cc1cc4nc8n1.C8(C)C.c14ccc6cc1.C76=O.N73.C3C5.[NH+]5(C)C	[ 327.21793790409004, 0.42105263157894735, 5, 2, 2, 5, 24, 6, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]
Cc1ccc2c8ncnc2c1.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C	[ 335.18663777609004, 0.25, 5, 2, 3, 5, 25, 5, 0, 0, 0, 0, 2, 1, 3, 0, 0, 0 ]
Cc1nc8c2ccccc2n1.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C	[ 335.18663777609004, 0.25, 5, 2, 3, 5, 25, 5, 0, 0, 0, 0, 2, 1, 3, 0, 0, 0 ]
C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18ncc2ccsc2n1	[ 327.12740864809007, 0.23529411764705882, 5, 2, 3, 6, 23, 5, 0, 0, 0, 0, 1, 2, 3, 0, 0, 0 ]
CC(C)C8.c18cc4ncn1.c14ccc6cc1.C76=O.N73.C3C5.[NH+]5(C)C	[ 327.21793790409004, 0.42105263157894735, 5, 2, 2, 5, 24, 7, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]
C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18ncnc2c(F)cccc12	[ 339.16156590009007, 0.21052631578947367, 5, 2, 3, 6, 25, 5, 0, 0, 0, 0, 2, 1, 3, 0, 0, 0 ]
C[NH+]4C.C4C6.N86.C87=O.c17ccc5cc1.c15ccc9nn1.c19ccco1	[ 337.16590233208996, 0.21052631578947367, 6, 2, 3, 6, 25, 6, 0, 0, 0, 0, 1, 2, 3, 0, 0, 0 ]
CC3C.O35.c15cc8ccn1.c18ccc4cc1.C74=O.N76.C6C9.[NH+]9(C)C	[ 328.20195349209, 0.3684210526315789, 5, 2, 2, 5, 24, 7, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]
Cc1nc9nc5c1F.C19CC1.c15ccc7cc1.C87=O.N84.C4C6.[NH+]6(C)C	[ 343.19286602809, 0.42105263157894735, 5, 2, 3, 6, 25, 6, 0, 1, 0, 1, 1, 1, 2, 1, 0, 1 ]
CCCC8.c18cc4ncn1.c14ccc6cc1.C76=O.N73.C3C5.[NH+]5(C)C	[ 327.21793790409004, 0.42105263157894735, 5, 2, 2, 5, 24, 8, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]
Cc1nnc8c2ccccc12.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C	[ 335.18663777609004, 0.25, 5, 2, 3, 5, 25, 5, 0, 0, 0, 0, 2, 1, 3, 0, 0, 0 ]
C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18nccc2ncsc12	[ 327.12740864809, 0.23529411764705882, 5, 2, 3, 6, 23, 5, 0, 0, 0, 0, 1, 2, 3, 0, 0, 0 ]
CCC8.c18cc4nc(C)n1.c14ccc6cc1.C76=O.N73.C3C5.[NH+]5(C)C	[ 327.21793790409004, 0.42105263157894735, 5, 2, 2, 5, 24, 7, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]
C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18ccc2c(c1)NC(=O)CC2	[ 338.18630342808996, 0.3, 5, 3, 3, 5, 25, 5, 0, 0, 1, 1, 2, 0, 2, 0, 0, 0 ]
C[NH+]5C.C5C6.N36.C39=O.c19ccc8cc1.c18ccc4c(F)c1.C74=O.O7C	[ 345.16089720408996, 0.2631578947368421, 5, 2, 2, 6, 25, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]
Cc1cc2ncnc8c2s1.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C	[ 341.14305871209007, 0.2777777777777778, 5, 2, 3, 6, 24, 5, 0, 0, 0, 0, 1, 2, 3, 0, 0, 0 ]
CC3C.O35.c15cccc8n1.c18ccc4cc1.C74=O.N76.C6C9.[NH+]9(C)C	[ 328.20195349209, 0.3684210526315789, 5, 2, 2, 5, 24, 7, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]
Cc1cc2ncccc2nc18.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C	[ 335.18663777609004, 0.25, 5, 2, 3, 5, 25, 5, 0, 0, 0, 0, 1, 2, 3, 0, 0, 0 ]
Cc1nsc2nc8ccc12.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C	[ 341.14305871209007, 0.2777777777777778, 5, 2, 3, 6, 24, 5, 0, 0, 0, 0, 1, 2, 3, 0, 0, 0 ]
Cc1ccc9cc18.c18ccc4cc1.C74=O.N75.C5C6.[NH+]6(C)C.N39.C3(C)=O	[ 340.20195349209, 0.3, 5, 3, 2, 5, 25, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]
C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18ncc2cc(F)ccc2n1	[ 339.16156590009, 0.21052631578947367, 5, 2, 3, 6, 25, 5, 0, 0, 0, 0, 2, 1, 3, 0, 0, 0 ]
C[NH+]3C.C3C4.N64.C65=O.c15ccc7cc1.c17ncccc1[Si](C)(C)C	[ 342.19961546609, 0.3684210526315789, 4, 2, 2, 5, 24, 6, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]
CC[C@@H]3C.O35.c15nccnc18.c18ccc4cc1.C74=O.N76.C6C9.[NH+]9(C)C	[ 343.21285252409, 0.42105263157894735, 6, 2, 2, 6, 25, 8, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]
CC[C@H]3C.O35.c15nccnc18.c18ccc4cc1.C74=O.N76.C6C9.[NH+]9(C)C	[ 343.21285252409, 0.42105263157894735, 6, 2, 2, 6, 25, 8, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]
C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18ncnc2cccc(F)c12	[ 339.16156590009007, 0.21052631578947367, 5, 2, 3, 6, 25, 5, 0, 0, 0, 0, 2, 1, 3, 0, 0, 0 ]
Cc1ccc8cc19.C79=O.O7C.c18ccc4cc1.C34=O.N35.C5C6.[NH+]6(C)C	[ 341.18596908009005, 0.3, 5, 2, 2, 5, 25, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]
Cc1ccc2nc8ccc2n1.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C	[ 335.18663777609004, 0.25, 5, 2, 3, 5, 25, 5, 0, 0, 0, 0, 1, 2, 3, 0, 0, 0 ]
Cc1cc2cnc8nc2s1.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C	[ 341.14305871209007, 0.2777777777777778, 5, 2, 3, 6, 24, 5, 0, 0, 0, 0, 1, 2, 3, 0, 0, 0 ]
C[NH+]6C.C6C7.N87.C89=O.c19ccc5cc1.c15ncc4c2cc[nH]c12.O4C	[ 339.18155239609, 0.2631578947368421, 6, 3, 3, 6, 25, 6, 0, 0, 0, 0, 1, 2, 3, 0, 0, 0 ]
CC9.c19cc4nc8n1.c18ccc6cc1.C76=O.N73.C3C5.[NH+]5(C)C.C4C	[ 327.21793790409, 0.42105263157894735, 5, 2, 2, 5, 24, 7, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]
C[NH+]5C.C5C6.N36.C39=O.c19ccc8cc1.c18ccc(F)cc14.C74=O.O7C	[ 345.16089720408996, 0.2631578947368421, 5, 2, 2, 6, 25, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]
CC6C.S64.c14ccc8nn1.c18ccc9cc1.C79=O.N73.C3C5.[NH+]5(C)C	[ 345.17435884009006, 0.3888888888888889, 5, 2, 2, 6, 24, 7, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]
C[NH+]5C.C5C6.N36.C39=O.c19ccc8cc1.c18ccc(F)c4c1.C74=O.O7C	[ 345.16089720408996, 0.2631578947368421, 5, 2, 2, 6, 25, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]
Cc1cc8ccc19.C79=O.O7C.c18ccc4cc1.C34=O.N35.C5C6.[NH+]6(C)C	[ 341.18596908009005, 0.3, 5, 2, 2, 5, 25, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]
Cc1cc5c8cc13.O3C.c18ccc4cc1.C74=O.N76.C6C9.[NH+]9(C)C.O5C	[ 343.20161914409, 0.35, 5, 2, 2, 5, 25, 7, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]
Cc1cc8nc4n1.c14ccc6cc1.C76=O.N73.C3C5.[NH+]5(C)C.C8(C)C	[ 327.21793790409, 0.42105263157894735, 5, 2, 2, 5, 24, 6, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]
C[NH+]4C.C4C6.N86.C87=O.c17ccc5cc1.c15ccc9cn1.n19cccc1	[ 335.18663777609004, 0.2, 5, 2, 3, 5, 25, 6, 0, 0, 0, 0, 1, 2, 3, 0, 0, 0 ]
C[NH+]3C.C3C5.N75.C78=O.c18ccc4cc1.c14cc6cc(F)c1.N6(C)C	[ 330.19761706009007, 0.3157894736842105, 4, 2, 2, 5, 24, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]
C[NH+]3C.C3C5.N75.C79=O.c19ccc8cc1.c18ccc4cn1.C64.S6C	[ 330.16345980809, 0.3333333333333333, 4, 2, 2, 5, 23, 7, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]
CC8(C)C.c18cc4ncn1.c14ccc6cc1.C76=O.N73.C3C5.[NH+]5(C)C	[ 327.21793790409004, 0.42105263157894735, 5, 2, 2, 5, 24, 5, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]
CC3C.O35.c15ccc8nc1.c18ccc4cc1.C74=O.N76.C6C9.[NH+]9(C)C	[ 328.20195349209, 0.3684210526315789, 5, 2, 2, 5, 24, 7, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]
C[NH+]3C.C3C5.N75.C79=O.c19ccc8cc1.c18ccccc14.C64.[NH+]6(C)C	[ 327.22996538818006, 0.35, 4, 3, 2, 4, 24, 7, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]
CC3C.O36.C69.c19ccc4nc1.c14ccc5cc1.C85=O.N87.C7C%10.[NH+]%10(C)C	[ 342.21760355609, 0.4, 5, 2, 2, 5, 25, 8, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]
C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18ncnc2c1CCCCC2	[ 339.21793790409, 0.45, 5, 2, 3, 5, 25, 5, 0, 1, 0, 1, 1, 1, 2, 0, 0, 0 ]
CC8(C)C.c18ccc4nn1.c14ccc6cc1.C76=O.N73.C3C5.[NH+]5(C)C	[ 327.21793790409004, 0.42105263157894735, 5, 2, 2, 5, 24, 5, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]
C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18ccc2ncsc2n1	[ 327.12740864809007, 0.23529411764705882, 5, 2, 3, 6, 23, 5, 0, 0, 0, 0, 1, 2, 3, 0, 0, 0 ]
C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18nncc2ccc(F)cc12	[ 339.16156590009007, 0.21052631578947367, 5, 2, 3, 6, 25, 5, 0, 0, 0, 0, 2, 1, 3, 0, 0, 0 ]
C[NH+]5C.C5C6.N36.C39=O.c19ccc8cc1.c18cc4ccc1F.C74=O.O7C	[ 345.16089720408996, 0.2631578947368421, 5, 2, 2, 6, 25, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]
C[NH+]3C.C3C5.N75.C79=O.c19ccc8cc1.c18cc4ccn1.C64.S6C	[ 330.16345980809, 0.3333333333333333, 4, 2, 2, 5, 23, 7, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]
CC8(C)O.c18ccccc14.c14ccc6cc1.C76=O.N73.C3C5.[NH+]5(C)C	[ 327.20670452409, 0.35, 4, 3, 2, 4, 24, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]
C[NH+]7C.C7C%10.N8%10.C85=O.c15ccc4cc1.c14ccccc19.C369.O3C.O6C	[ 343.20161914409, 0.35, 5, 2, 2, 5, 25, 8, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]
C[NH+]6C.C6C9.N79.C74=O.c14ccc8cc1.c18cccc5c13.O3C.O5C	[ 329.18596908009, 0.3157894736842105, 5, 2, 2, 5, 24, 7, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]
CC3C.O35.c15ccc8cn1.c18ccc4cc1.C74=O.N76.C6C9.[NH+]9(C)C	[ 328.20195349209, 0.3684210526315789, 5, 2, 2, 5, 24, 7, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]
C[C@H]1CCc2nnc8cc2C1.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C	[ 339.21793790409004, 0.45, 5, 2, 3, 5, 25, 5, 0, 1, 0, 1, 1, 1, 2, 0, 0, 0 ]
C[C@@H]1CCc2nnc8cc2C1.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C	[ 339.21793790409004, 0.45, 5, 2, 3, 5, 25, 5, 0, 1, 0, 1, 1, 1, 2, 0, 0, 0 ]
C[NH+]6C.C6C9.N79.C74=O.c14ccc8cc1.c18cc3cc5c1.O3C.O5C	[ 329.18596908009, 0.3157894736842105, 5, 2, 2, 5, 24, 7, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]
CC7=O.N79.c19ccc8cc1F.c18ccc4cc1.C34=O.N35.C5C6.[NH+]6(C)C	[ 344.17688161609004, 0.2631578947368421, 5, 3, 2, 6, 25, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]
C[NH+]4C.C4C6.N86.C89=O.c19ccc5cc1.c15ccnc7c1.N17CCCC1	[ 339.21793790409004, 0.4, 5, 2, 3, 5, 25, 6, 0, 0, 1, 1, 1, 1, 2, 0, 1, 1 ]
C[NH+]5C.C5C7.N97.C98=O.c18ccc6cc1.c16nc%10nc2[nH]ccc12.C1%10CC1	[ 350.19753680809004, 0.35, 6, 3, 4, 6, 26, 6, 0, 1, 0, 1, 1, 2, 3, 1, 0, 1 ]
C[C@H]1C(=O)Nc2cc8ccc21.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C	[ 338.18630342809, 0.3, 5, 3, 3, 5, 25, 5, 0, 0, 1, 1, 2, 0, 2, 0, 0, 0 ]
C[C@@H]1C(=O)Nc2cc8ccc21.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C	[ 338.18630342809, 0.3, 5, 3, 3, 5, 25, 5, 0, 0, 1, 1, 2, 0, 2, 0, 0, 0 ]
C[NH+]8C.C8C%11.N9%11.C96=O.c16ccc5cc1.c15cc7ccn1.O47.C4%10.C1%10CC1	[ 340.20195349208996, 0.4, 5, 2, 3, 5, 25, 8, 0, 1, 0, 1, 1, 1, 2, 1, 0, 1 ]
Cc1c9cccc18.C79=O.O7C.c18ccc4cc1.C34=O.N35.C5C6.[NH+]6(C)C	[ 341.18596908009005, 0.3, 5, 2, 2, 5, 25, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]
C[NH+]5C.C5C6.N36.C39=O.c19ccc8cc1.c18ccc4cc1F.C74=O.O7C	[ 345.16089720408996, 0.2631578947368421, 5, 2, 2, 6, 25, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]
Cc1cccc8c19.C79=O.O7C.c18ccc4cc1.C34=O.N35.C5C6.[NH+]6(C)C	[ 341.18596908009005, 0.3, 5, 2, 2, 5, 25, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]
Cc1cc5ncc14.c14ccc3cc1S(N)(=O)=O.C3(F)(F)F.O5C	[ 346.059897936, 0.21428571428571427, 5, 2, 2, 9, 23, 3, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]
C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18ccc2nsnc2c1	[ 327.12740864809007, 0.23529411764705882, 5, 2, 3, 6, 23, 5, 0, 0, 0, 0, 2, 1, 3, 0, 0, 0 ]
C[NH+]4C.C4C6.N86.C87=O.c17ccc5cc1.c15cccc9c1.C19OCCO1	[ 341.18596908009, 0.35, 5, 2, 3, 5, 25, 6, 0, 0, 1, 1, 2, 0, 2, 0, 1, 1 ]
C[NH+]5C.C5C6.N76.C78=O.c18ccc4cc1.c14cc3c(F)c(F)c1.O3C	[ 335.15656077209, 0.2777777777777778, 4, 2, 2, 6, 24, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]
Cc1cc3ncc17.c17cc5ccc14.O4COC.C5C6=O.O6C.O3C	[ 331.141972772, 0.3333333333333333, 6, 0, 2, 6, 24, 7, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]
CC4.N14CC[NH+]5CC1.C56.c16ccc8nc1.c18cnc7cc1C.O7C	[ 327.21793790409, 0.47368421052631576, 5, 1, 3, 5, 24, 5, 0, 0, 1, 1, 0, 2, 2, 0, 1, 1 ]
Cc1ccc4c8c1.c18ccc9cc1.C39=O.N35.C5C6.[NH+]6(C)C.C74=O.O7C	[ 341.18596908009, 0.3, 5, 2, 2, 5, 25, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]
C[NH+]5C.C5C6.N36.C39=O.c19ccc8cc1.c18cc(F)ccc14.C74=O.O7C	[ 345.16089720408996, 0.2631578947368421, 5, 2, 2, 6, 25, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]
C[NH+]5C.C5C6.N76.C78=O.c18ccc4cc1.c14ccc3c(F)c1F.O3C	[ 335.15656077209, 0.2777777777777778, 4, 2, 2, 6, 24, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]
C[NH+]6C.C6C7.N87.C89=O.c19ccc5cc1.c15cnc4c2[nH]ccc12.O4C	[ 339.18155239609, 0.2631578947368421, 6, 3, 3, 6, 25, 6, 0, 0, 0, 0, 1, 2, 3, 0, 0, 0 ]
C[NH+]3C.C3C5.N75.C79=O.c19ccc8cc1.c18cccc4c1.C64.[NH+]6(C)C	[ 327.22996538818006, 0.35, 4, 3, 2, 4, 24, 7, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]
C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18cccc2ccc(=O)oc12	[ 337.15466895209, 0.2, 5, 2, 3, 5, 25, 5, 0, 0, 0, 0, 2, 1, 3, 0, 0, 0 ]
C[NH+]4C.C4C6.N86.C87=O.c17ccc5cc1.c15ccc9cc1.n19ccnc1	[ 335.18663777609004, 0.2, 5, 2, 3, 5, 25, 6, 0, 0, 0, 0, 2, 1, 3, 0, 0, 0 ]
Cc1cccc4c18.c18ccc9cc1.C39=O.N35.C5C6.[NH+]6(C)C.C74=O.O7C	[ 341.18596908009, 0.3, 5, 2, 2, 5, 25, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]
C[NH+]5C.C5C6.N76.C78=O.c18ccc4cc1.c14c(F)cc3cc1F.O3C	[ 335.15656077209, 0.2777777777777778, 4, 2, 2, 6, 24, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]
C[NH+]5C.C5C6.N36.C39=O.c19ccc8cc1.c18cccc4c1F.C74=O.O7C	[ 345.16089720408996, 0.2631578947368421, 5, 2, 2, 6, 25, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]
Cc1nc2cc8cnc2s1.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C	[ 341.14305871209007, 0.2777777777777778, 5, 2, 3, 6, 24, 5, 0, 0, 0, 0, 1, 2, 3, 0, 0, 0 ]
C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18ccc2oc(=O)ccc2c1	[ 337.15466895209, 0.2, 5, 2, 3, 5, 25, 5, 0, 0, 0, 0, 2, 1, 3, 0, 0, 0 ]
C[NH+]%10C.C%10C5.N85.C89=O.c19ccc4cc1.c14ccc7cc1.O37.C3C6.O6C	[ 343.20161914409, 0.35, 5, 2, 2, 5, 25, 9, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]
CC7=O.N79.c19ccc(F)cc18.c18ccc4cc1.C34=O.N35.C5C6.[NH+]6(C)C	[ 344.17688161609004, 0.2631578947368421, 5, 3, 2, 6, 25, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]
C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18cccc2c1OC(F)(F)O2	[ 349.13582532809, 0.2777777777777778, 5, 2, 3, 7, 25, 5, 0, 0, 1, 1, 2, 0, 2, 0, 0, 0 ]
C[NH+]5C.C5C6.N76.C78=O.c18ccc4cc1.c14cc(F)c(F)cc13.O3C	[ 335.15656077209, 0.2777777777777778, 4, 2, 2, 6, 24, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]
C[NH+]4C.C4C6.N86.C87=O.c17ccc5cc1.c15ccc9cc1.C19OCCO1	[ 341.18596908009, 0.35, 5, 2, 3, 5, 25, 6, 0, 0, 1, 1, 2, 0, 2, 0, 1, 1 ]
C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18cnc2scnc2c1	[ 327.12740864809007, 0.23529411764705882, 5, 2, 3, 6, 23, 5, 0, 0, 0, 0, 1, 2, 3, 0, 0, 0 ]
C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18ccc2c(c1)OC(F)(F)O2	[ 349.13582532809, 0.2777777777777778, 5, 2, 3, 7, 25, 5, 0, 0, 1, 1, 2, 0, 2, 0, 0, 0 ]
C[NH+]5C.C5C6.N76.C78=O.c18ccc4cc1.c14cc(F)c3c(F)c1.O3C	[ 335.15656077209, 0.2777777777777778, 4, 2, 2, 6, 24, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]
CC7=O.O75.c15cccc8c1.c18ccc4cc1.C34=O.N36.C6C9.[NH+]9(C)C	[ 327.17031901609005, 0.2631578947368421, 5, 2, 2, 5, 24, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]
C[NH+]6C.C6C7.N87.C89=O.c19ccc5cc1.c15cc2[nH]cnc2cc14.O4C	[ 339.18155239609007, 0.2631578947368421, 6, 3, 3, 6, 25, 6, 0, 0, 0, 0, 2, 1, 3, 0, 0, 0 ]
C[NH+]4C.C4C6.N86.C87=O.c17ccc5cc1.c15ccccc19.C19OCCO1	[ 341.18596908009, 0.35, 5, 2, 3, 5, 25, 6, 0, 0, 1, 1, 2, 0, 2, 0, 1, 1 ]
Cc1cc8ccc19.N79.C7(C)=O.c18ccc4cc1.C34=O.N35.C5C6.[NH+]6(C)C	[ 340.20195349209, 0.3, 5, 3, 2, 5, 25, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]
C[NH+]5C.C5C6.N86.C87=O.c17ccc9cc1.c19ccc2c(c1)C1(CC1)C(=O)N2	[ 350.18630342809, 0.3333333333333333, 5, 3, 4, 5, 26, 5, 0, 1, 1, 2, 2, 0, 2, 1, 0, 1 ]
C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18cnc2[nH]ccc2c1F	[ 327.16156590009, 0.2222222222222222, 5, 3, 3, 6, 24, 5, 0, 0, 0, 0, 1, 2, 3, 0, 0, 0 ]

CC3C.O35.c15cccnc18.c18ccc4cc1.C74=O.N76.C6C9.[NH+]9(C)C

[ 328.20195349209, 0.3684210526315789, 5, 2, 2, 5, 24, 7, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]

Cc1cc2ccncc2nc18.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C

[ 335.18663777609004, 0.25, 5, 2, 3, 5, 25, 5, 0, 0, 0, 0, 1, 2, 3, 0, 0, 0 ]

Cc1cc2cccnc2c8n1.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C

[ 335.18663777609004, 0.25, 5, 2, 3, 5, 25, 5, 0, 0, 0, 0, 1, 2, 3, 0, 0, 0 ]

Cc1cc4nc8n1.C8(C)C.c14ccc6cc1.C76=O.N73.C3C5.[NH+]5(C)C

[ 327.21793790409004, 0.42105263157894735, 5, 2, 2, 5, 24, 6, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]

Cc1ccc2c8ncnc2c1.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C

[ 335.18663777609004, 0.25, 5, 2, 3, 5, 25, 5, 0, 0, 0, 0, 2, 1, 3, 0, 0, 0 ]

Cc1nc8c2ccccc2n1.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C

[ 335.18663777609004, 0.25, 5, 2, 3, 5, 25, 5, 0, 0, 0, 0, 2, 1, 3, 0, 0, 0 ]

C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18ncc2ccsc2n1

[ 327.12740864809007, 0.23529411764705882, 5, 2, 3, 6, 23, 5, 0, 0, 0, 0, 1, 2, 3, 0, 0, 0 ]

CC(C)C8.c18cc4ncn1.c14ccc6cc1.C76=O.N73.C3C5.[NH+]5(C)C

[ 327.21793790409004, 0.42105263157894735, 5, 2, 2, 5, 24, 7, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]

C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18ncnc2c(F)cccc12

[ 339.16156590009007, 0.21052631578947367, 5, 2, 3, 6, 25, 5, 0, 0, 0, 0, 2, 1, 3, 0, 0, 0 ]

C[NH+]4C.C4C6.N86.C87=O.c17ccc5cc1.c15ccc9nn1.c19ccco1

[ 337.16590233208996, 0.21052631578947367, 6, 2, 3, 6, 25, 6, 0, 0, 0, 0, 1, 2, 3, 0, 0, 0 ]

CC3C.O35.c15cc8ccn1.c18ccc4cc1.C74=O.N76.C6C9.[NH+]9(C)C

[ 328.20195349209, 0.3684210526315789, 5, 2, 2, 5, 24, 7, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]

Cc1nc9nc5c1F.C19CC1.c15ccc7cc1.C87=O.N84.C4C6.[NH+]6(C)C

[ 343.19286602809, 0.42105263157894735, 5, 2, 3, 6, 25, 6, 0, 1, 0, 1, 1, 1, 2, 1, 0, 1 ]

CCCC8.c18cc4ncn1.c14ccc6cc1.C76=O.N73.C3C5.[NH+]5(C)C

[ 327.21793790409004, 0.42105263157894735, 5, 2, 2, 5, 24, 8, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]

Cc1nnc8c2ccccc12.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C

[ 335.18663777609004, 0.25, 5, 2, 3, 5, 25, 5, 0, 0, 0, 0, 2, 1, 3, 0, 0, 0 ]

C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18nccc2ncsc12

[ 327.12740864809, 0.23529411764705882, 5, 2, 3, 6, 23, 5, 0, 0, 0, 0, 1, 2, 3, 0, 0, 0 ]

CCC8.c18cc4nc(C)n1.c14ccc6cc1.C76=O.N73.C3C5.[NH+]5(C)C

[ 327.21793790409004, 0.42105263157894735, 5, 2, 2, 5, 24, 7, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]

C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18ccc2c(c1)NC(=O)CC2

[ 338.18630342808996, 0.3, 5, 3, 3, 5, 25, 5, 0, 0, 1, 1, 2, 0, 2, 0, 0, 0 ]

C[NH+]5C.C5C6.N36.C39=O.c19ccc8cc1.c18ccc4c(F)c1.C74=O.O7C

[ 345.16089720408996, 0.2631578947368421, 5, 2, 2, 6, 25, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]

Cc1cc2ncnc8c2s1.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C

[ 341.14305871209007, 0.2777777777777778, 5, 2, 3, 6, 24, 5, 0, 0, 0, 0, 1, 2, 3, 0, 0, 0 ]

CC3C.O35.c15cccc8n1.c18ccc4cc1.C74=O.N76.C6C9.[NH+]9(C)C

[ 328.20195349209, 0.3684210526315789, 5, 2, 2, 5, 24, 7, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]

Cc1cc2ncccc2nc18.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C

[ 335.18663777609004, 0.25, 5, 2, 3, 5, 25, 5, 0, 0, 0, 0, 1, 2, 3, 0, 0, 0 ]

Cc1nsc2nc8ccc12.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C

[ 341.14305871209007, 0.2777777777777778, 5, 2, 3, 6, 24, 5, 0, 0, 0, 0, 1, 2, 3, 0, 0, 0 ]

Cc1ccc9cc18.c18ccc4cc1.C74=O.N75.C5C6.[NH+]6(C)C.N39.C3(C)=O

[ 340.20195349209, 0.3, 5, 3, 2, 5, 25, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]

C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18ncc2cc(F)ccc2n1

[ 339.16156590009, 0.21052631578947367, 5, 2, 3, 6, 25, 5, 0, 0, 0, 0, 2, 1, 3, 0, 0, 0 ]

C[NH+]3C.C3C4.N64.C65=O.c15ccc7cc1.c17ncccc1[Si](C)(C)C

[ 342.19961546609, 0.3684210526315789, 4, 2, 2, 5, 24, 6, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]

CC[C@@H]3C.O35.c15nccnc18.c18ccc4cc1.C74=O.N76.C6C9.[NH+]9(C)C

[ 343.21285252409, 0.42105263157894735, 6, 2, 2, 6, 25, 8, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]

CC[C@H]3C.O35.c15nccnc18.c18ccc4cc1.C74=O.N76.C6C9.[NH+]9(C)C

[ 343.21285252409, 0.42105263157894735, 6, 2, 2, 6, 25, 8, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]

C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18ncnc2cccc(F)c12

[ 339.16156590009007, 0.21052631578947367, 5, 2, 3, 6, 25, 5, 0, 0, 0, 0, 2, 1, 3, 0, 0, 0 ]

Cc1ccc8cc19.C79=O.O7C.c18ccc4cc1.C34=O.N35.C5C6.[NH+]6(C)C

[ 341.18596908009005, 0.3, 5, 2, 2, 5, 25, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]

Cc1ccc2nc8ccc2n1.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C

[ 335.18663777609004, 0.25, 5, 2, 3, 5, 25, 5, 0, 0, 0, 0, 1, 2, 3, 0, 0, 0 ]

Cc1cc2cnc8nc2s1.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C

[ 341.14305871209007, 0.2777777777777778, 5, 2, 3, 6, 24, 5, 0, 0, 0, 0, 1, 2, 3, 0, 0, 0 ]

C[NH+]6C.C6C7.N87.C89=O.c19ccc5cc1.c15ncc4c2cc[nH]c12.O4C

[ 339.18155239609, 0.2631578947368421, 6, 3, 3, 6, 25, 6, 0, 0, 0, 0, 1, 2, 3, 0, 0, 0 ]

CC9.c19cc4nc8n1.c18ccc6cc1.C76=O.N73.C3C5.[NH+]5(C)C.C4C

[ 327.21793790409, 0.42105263157894735, 5, 2, 2, 5, 24, 7, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]

C[NH+]5C.C5C6.N36.C39=O.c19ccc8cc1.c18ccc(F)cc14.C74=O.O7C

[ 345.16089720408996, 0.2631578947368421, 5, 2, 2, 6, 25, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]

CC6C.S64.c14ccc8nn1.c18ccc9cc1.C79=O.N73.C3C5.[NH+]5(C)C

[ 345.17435884009006, 0.3888888888888889, 5, 2, 2, 6, 24, 7, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]

C[NH+]5C.C5C6.N36.C39=O.c19ccc8cc1.c18ccc(F)c4c1.C74=O.O7C

[ 345.16089720408996, 0.2631578947368421, 5, 2, 2, 6, 25, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]

Cc1cc8ccc19.C79=O.O7C.c18ccc4cc1.C34=O.N35.C5C6.[NH+]6(C)C

[ 341.18596908009005, 0.3, 5, 2, 2, 5, 25, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]

Cc1cc5c8cc13.O3C.c18ccc4cc1.C74=O.N76.C6C9.[NH+]9(C)C.O5C

[ 343.20161914409, 0.35, 5, 2, 2, 5, 25, 7, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]

Cc1cc8nc4n1.c14ccc6cc1.C76=O.N73.C3C5.[NH+]5(C)C.C8(C)C

[ 327.21793790409, 0.42105263157894735, 5, 2, 2, 5, 24, 6, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]

C[NH+]4C.C4C6.N86.C87=O.c17ccc5cc1.c15ccc9cn1.n19cccc1

[ 335.18663777609004, 0.2, 5, 2, 3, 5, 25, 6, 0, 0, 0, 0, 1, 2, 3, 0, 0, 0 ]

C[NH+]3C.C3C5.N75.C78=O.c18ccc4cc1.c14cc6cc(F)c1.N6(C)C

[ 330.19761706009007, 0.3157894736842105, 4, 2, 2, 5, 24, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]

C[NH+]3C.C3C5.N75.C79=O.c19ccc8cc1.c18ccc4cn1.C64.S6C

[ 330.16345980809, 0.3333333333333333, 4, 2, 2, 5, 23, 7, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]

CC8(C)C.c18cc4ncn1.c14ccc6cc1.C76=O.N73.C3C5.[NH+]5(C)C

[ 327.21793790409004, 0.42105263157894735, 5, 2, 2, 5, 24, 5, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]

CC3C.O35.c15ccc8nc1.c18ccc4cc1.C74=O.N76.C6C9.[NH+]9(C)C

[ 328.20195349209, 0.3684210526315789, 5, 2, 2, 5, 24, 7, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]

C[NH+]3C.C3C5.N75.C79=O.c19ccc8cc1.c18ccccc14.C64.[NH+]6(C)C

[ 327.22996538818006, 0.35, 4, 3, 2, 4, 24, 7, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]

CC3C.O36.C69.c19ccc4nc1.c14ccc5cc1.C85=O.N87.C7C%10.[NH+]%10(C)C

[ 342.21760355609, 0.4, 5, 2, 2, 5, 25, 8, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]

C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18ncnc2c1CCCCC2

[ 339.21793790409, 0.45, 5, 2, 3, 5, 25, 5, 0, 1, 0, 1, 1, 1, 2, 0, 0, 0 ]

CC8(C)C.c18ccc4nn1.c14ccc6cc1.C76=O.N73.C3C5.[NH+]5(C)C

[ 327.21793790409004, 0.42105263157894735, 5, 2, 2, 5, 24, 5, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]

C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18ccc2ncsc2n1

[ 327.12740864809007, 0.23529411764705882, 5, 2, 3, 6, 23, 5, 0, 0, 0, 0, 1, 2, 3, 0, 0, 0 ]

C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18nncc2ccc(F)cc12

[ 339.16156590009007, 0.21052631578947367, 5, 2, 3, 6, 25, 5, 0, 0, 0, 0, 2, 1, 3, 0, 0, 0 ]

C[NH+]5C.C5C6.N36.C39=O.c19ccc8cc1.c18cc4ccc1F.C74=O.O7C

[ 345.16089720408996, 0.2631578947368421, 5, 2, 2, 6, 25, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]

C[NH+]3C.C3C5.N75.C79=O.c19ccc8cc1.c18cc4ccn1.C64.S6C

[ 330.16345980809, 0.3333333333333333, 4, 2, 2, 5, 23, 7, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]

CC8(C)O.c18ccccc14.c14ccc6cc1.C76=O.N73.C3C5.[NH+]5(C)C

[ 327.20670452409, 0.35, 4, 3, 2, 4, 24, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]

C[NH+]7C.C7C%10.N8%10.C85=O.c15ccc4cc1.c14ccccc19.C369.O3C.O6C

[ 343.20161914409, 0.35, 5, 2, 2, 5, 25, 8, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]

C[NH+]6C.C6C9.N79.C74=O.c14ccc8cc1.c18cccc5c13.O3C.O5C

[ 329.18596908009, 0.3157894736842105, 5, 2, 2, 5, 24, 7, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]

CC3C.O35.c15ccc8cn1.c18ccc4cc1.C74=O.N76.C6C9.[NH+]9(C)C

[ 328.20195349209, 0.3684210526315789, 5, 2, 2, 5, 24, 7, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]

C[C@H]1CCc2nnc8cc2C1.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C

[ 339.21793790409004, 0.45, 5, 2, 3, 5, 25, 5, 0, 1, 0, 1, 1, 1, 2, 0, 0, 0 ]

C[C@@H]1CCc2nnc8cc2C1.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C

[ 339.21793790409004, 0.45, 5, 2, 3, 5, 25, 5, 0, 1, 0, 1, 1, 1, 2, 0, 0, 0 ]

C[NH+]6C.C6C9.N79.C74=O.c14ccc8cc1.c18cc3cc5c1.O3C.O5C

[ 329.18596908009, 0.3157894736842105, 5, 2, 2, 5, 24, 7, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]

CC7=O.N79.c19ccc8cc1F.c18ccc4cc1.C34=O.N35.C5C6.[NH+]6(C)C

[ 344.17688161609004, 0.2631578947368421, 5, 3, 2, 6, 25, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]

C[NH+]4C.C4C6.N86.C89=O.c19ccc5cc1.c15ccnc7c1.N17CCCC1

[ 339.21793790409004, 0.4, 5, 2, 3, 5, 25, 6, 0, 0, 1, 1, 1, 1, 2, 0, 1, 1 ]

C[NH+]5C.C5C7.N97.C98=O.c18ccc6cc1.c16nc%10nc2[nH]ccc12.C1%10CC1

[ 350.19753680809004, 0.35, 6, 3, 4, 6, 26, 6, 0, 1, 0, 1, 1, 2, 3, 1, 0, 1 ]

C[C@H]1C(=O)Nc2cc8ccc21.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C

[ 338.18630342809, 0.3, 5, 3, 3, 5, 25, 5, 0, 0, 1, 1, 2, 0, 2, 0, 0, 0 ]

C[C@@H]1C(=O)Nc2cc8ccc21.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C

[ 338.18630342809, 0.3, 5, 3, 3, 5, 25, 5, 0, 0, 1, 1, 2, 0, 2, 0, 0, 0 ]

C[NH+]8C.C8C%11.N9%11.C96=O.c16ccc5cc1.c15cc7ccn1.O47.C4%10.C1%10CC1

[ 340.20195349208996, 0.4, 5, 2, 3, 5, 25, 8, 0, 1, 0, 1, 1, 1, 2, 1, 0, 1 ]

Cc1c9cccc18.C79=O.O7C.c18ccc4cc1.C34=O.N35.C5C6.[NH+]6(C)C

[ 341.18596908009005, 0.3, 5, 2, 2, 5, 25, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]

C[NH+]5C.C5C6.N36.C39=O.c19ccc8cc1.c18ccc4cc1F.C74=O.O7C

[ 345.16089720408996, 0.2631578947368421, 5, 2, 2, 6, 25, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]

Cc1cccc8c19.C79=O.O7C.c18ccc4cc1.C34=O.N35.C5C6.[NH+]6(C)C

[ 341.18596908009005, 0.3, 5, 2, 2, 5, 25, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]

Cc1cc5ncc14.c14ccc3cc1S(N)(=O)=O.C3(F)(F)F.O5C

[ 346.059897936, 0.21428571428571427, 5, 2, 2, 9, 23, 3, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]

C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18ccc2nsnc2c1

[ 327.12740864809007, 0.23529411764705882, 5, 2, 3, 6, 23, 5, 0, 0, 0, 0, 2, 1, 3, 0, 0, 0 ]

C[NH+]4C.C4C6.N86.C87=O.c17ccc5cc1.c15cccc9c1.C19OCCO1

[ 341.18596908009, 0.35, 5, 2, 3, 5, 25, 6, 0, 0, 1, 1, 2, 0, 2, 0, 1, 1 ]

C[NH+]5C.C5C6.N76.C78=O.c18ccc4cc1.c14cc3c(F)c(F)c1.O3C

[ 335.15656077209, 0.2777777777777778, 4, 2, 2, 6, 24, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]

Cc1cc3ncc17.c17cc5ccc14.O4COC.C5C6=O.O6C.O3C

[ 331.141972772, 0.3333333333333333, 6, 0, 2, 6, 24, 7, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0 ]

CC4.N14CC[NH+]5CC1.C56.c16ccc8nc1.c18cnc7cc1C.O7C

[ 327.21793790409, 0.47368421052631576, 5, 1, 3, 5, 24, 5, 0, 0, 1, 1, 0, 2, 2, 0, 1, 1 ]

Cc1ccc4c8c1.c18ccc9cc1.C39=O.N35.C5C6.[NH+]6(C)C.C74=O.O7C

[ 341.18596908009, 0.3, 5, 2, 2, 5, 25, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]

C[NH+]5C.C5C6.N36.C39=O.c19ccc8cc1.c18cc(F)ccc14.C74=O.O7C

[ 345.16089720408996, 0.2631578947368421, 5, 2, 2, 6, 25, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]

C[NH+]5C.C5C6.N76.C78=O.c18ccc4cc1.c14ccc3c(F)c1F.O3C

[ 335.15656077209, 0.2777777777777778, 4, 2, 2, 6, 24, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]

C[NH+]6C.C6C7.N87.C89=O.c19ccc5cc1.c15cnc4c2[nH]ccc12.O4C

[ 339.18155239609, 0.2631578947368421, 6, 3, 3, 6, 25, 6, 0, 0, 0, 0, 1, 2, 3, 0, 0, 0 ]

C[NH+]3C.C3C5.N75.C79=O.c19ccc8cc1.c18cccc4c1.C64.[NH+]6(C)C

[ 327.22996538818006, 0.35, 4, 3, 2, 4, 24, 7, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]

C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18cccc2ccc(=O)oc12

[ 337.15466895209, 0.2, 5, 2, 3, 5, 25, 5, 0, 0, 0, 0, 2, 1, 3, 0, 0, 0 ]

C[NH+]4C.C4C6.N86.C87=O.c17ccc5cc1.c15ccc9cc1.n19ccnc1

[ 335.18663777609004, 0.2, 5, 2, 3, 5, 25, 6, 0, 0, 0, 0, 2, 1, 3, 0, 0, 0 ]

Cc1cccc4c18.c18ccc9cc1.C39=O.N35.C5C6.[NH+]6(C)C.C74=O.O7C

[ 341.18596908009, 0.3, 5, 2, 2, 5, 25, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]

C[NH+]5C.C5C6.N76.C78=O.c18ccc4cc1.c14c(F)cc3cc1F.O3C

[ 335.15656077209, 0.2777777777777778, 4, 2, 2, 6, 24, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]

C[NH+]5C.C5C6.N36.C39=O.c19ccc8cc1.c18cccc4c1F.C74=O.O7C

[ 345.16089720408996, 0.2631578947368421, 5, 2, 2, 6, 25, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]

Cc1nc2cc8cnc2s1.c18ccc6cc1.C76=O.N74.C4C5.[NH+]5(C)C

[ 341.14305871209007, 0.2777777777777778, 5, 2, 3, 6, 24, 5, 0, 0, 0, 0, 1, 2, 3, 0, 0, 0 ]

C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18ccc2oc(=O)ccc2c1

[ 337.15466895209, 0.2, 5, 2, 3, 5, 25, 5, 0, 0, 0, 0, 2, 1, 3, 0, 0, 0 ]

C[NH+]%10C.C%10C5.N85.C89=O.c19ccc4cc1.c14ccc7cc1.O37.C3C6.O6C

[ 343.20161914409, 0.35, 5, 2, 2, 5, 25, 9, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]

CC7=O.N79.c19ccc(F)cc18.c18ccc4cc1.C34=O.N35.C5C6.[NH+]6(C)C

[ 344.17688161609004, 0.2631578947368421, 5, 3, 2, 6, 25, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]

C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18cccc2c1OC(F)(F)O2

[ 349.13582532809, 0.2777777777777778, 5, 2, 3, 7, 25, 5, 0, 0, 1, 1, 2, 0, 2, 0, 0, 0 ]

C[NH+]5C.C5C6.N76.C78=O.c18ccc4cc1.c14cc(F)c(F)cc13.O3C

[ 335.15656077209, 0.2777777777777778, 4, 2, 2, 6, 24, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]

C[NH+]4C.C4C6.N86.C87=O.c17ccc5cc1.c15ccc9cc1.C19OCCO1

[ 341.18596908009, 0.35, 5, 2, 3, 5, 25, 6, 0, 0, 1, 1, 2, 0, 2, 0, 1, 1 ]

C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18cnc2scnc2c1

[ 327.12740864809007, 0.23529411764705882, 5, 2, 3, 6, 23, 5, 0, 0, 0, 0, 1, 2, 3, 0, 0, 0 ]

C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18ccc2c(c1)OC(F)(F)O2

[ 349.13582532809, 0.2777777777777778, 5, 2, 3, 7, 25, 5, 0, 0, 1, 1, 2, 0, 2, 0, 0, 0 ]

C[NH+]5C.C5C6.N76.C78=O.c18ccc4cc1.c14cc(F)c3c(F)c1.O3C

[ 335.15656077209, 0.2777777777777778, 4, 2, 2, 6, 24, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]

CC7=O.O75.c15cccc8c1.c18ccc4cc1.C34=O.N36.C6C9.[NH+]9(C)C

[ 327.17031901609005, 0.2631578947368421, 5, 2, 2, 5, 24, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]

C[NH+]6C.C6C7.N87.C89=O.c19ccc5cc1.c15cc2[nH]cnc2cc14.O4C

[ 339.18155239609007, 0.2631578947368421, 6, 3, 3, 6, 25, 6, 0, 0, 0, 0, 2, 1, 3, 0, 0, 0 ]

C[NH+]4C.C4C6.N86.C87=O.c17ccc5cc1.c15ccccc19.C19OCCO1

[ 341.18596908009, 0.35, 5, 2, 3, 5, 25, 6, 0, 0, 1, 1, 2, 0, 2, 0, 1, 1 ]

Cc1cc8ccc19.N79.C7(C)=O.c18ccc4cc1.C34=O.N35.C5C6.[NH+]6(C)C

[ 340.20195349209, 0.3, 5, 3, 2, 5, 25, 6, 0, 0, 0, 0, 2, 0, 2, 0, 0, 0 ]

C[NH+]5C.C5C6.N86.C87=O.c17ccc9cc1.c19ccc2c(c1)C1(CC1)C(=O)N2

[ 350.18630342809, 0.3333333333333333, 5, 3, 4, 5, 26, 5, 0, 1, 1, 2, 2, 0, 2, 1, 0, 1 ]

C[NH+]4C.C4C5.N75.C76=O.c16ccc8cc1.c18cnc2[nH]ccc2c1F

[ 327.16156590009, 0.2222222222222222, 5, 3, 3, 6, 24, 5, 0, 0, 0, 0, 1, 2, 3, 0, 0, 0 ]