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3.57k
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CC6.O65.c15ccc(C2=C(C)CCC(c3cccc4c3CCC4C)=NO2)cc17.C7(F)(F)F | [
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O=C57.[C@@H]17CCC[C@H]4C1.C4(F)(F)F.N15CCN6CC1.C63.c13cccc([N+](=O)[O-])c1 | [
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CC[C@H]7C5=O.O7C.N56.c16ccnn19.C94.c14ccc8c3c12.O8C.O3C.O2C | [
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CC1(C)CC2CC(C)(CN2CN2C(=O)/C(=N/NC5=O)c3ccccc32)C1.c15ccc2ccccc2n1 | [
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0
] |
CC2.O42.C4(=O)C5.O53.c13ccc(C)nc1Br | [
273.000055344,
0.4,
4,
0,
1,
5,
15,
4,
0,
0,
0,
0,
0,
1,
1,
0,
0,
0
] |
CC4.N43.S3(=O)(=O)c1ccc(N)c2c1.N52.C5CCC6.N6(C)C | [
314.17764707199996,
0.5714285714285714,
6,
4,
1,
7,
21,
9,
0,
0,
0,
0,
1,
0,
1,
0,
0,
0
] |
CC(O)=Nc1ccc4cc1.c14csc(N=C(O)[C@@H]5C)n1.n15cc[nH+]c1 | [
356.11757223609004,
0.17647058823529413,
7,
3,
3,
8,
25,
5,
0,
0,
0,
0,
1,
2,
3,
0,
0,
0
] |
CCC(CC)C6=O.N65.c15ccc7c(C#N)c1.N17CCN(C2c3ccccc3N=C(O)c3ccccc32)[C@H](C)C1 | [
521.27907536,
0.34375,
7,
2,
5,
7,
39,
6,
0,
0,
2,
2,
3,
0,
3,
0,
1,
1
] |
CCC8.c18cc4c5c3c19.C4CC.c15cc6cc7c1I.O6C.O7C.C3CC.c19ccccc1 | [
542.16817836,
0.3793103448275862,
2,
0,
3,
3,
32,
10,
0,
0,
0,
0,
3,
0,
3,
0,
0,
0
] |
CO4.C4C3N=C(O)N56.C52.c12ccccc1.C6C(C)(C)O.C13CC1 | [
320.209992756,
0.6111111111111112,
5,
2,
2,
5,
23,
8,
0,
1,
0,
1,
1,
0,
1,
1,
0,
1
] |
Cc1noc(C)c1S3(=O)=O.N63.C6C4=O.O45.[C@@H]52C(O)=NC1CC1.c12ccccc1 | [
407.11510639200003,
0.3888888888888889,
9,
2,
3,
10,
28,
8,
0,
1,
0,
1,
1,
1,
2,
1,
0,
1
] |
Cc1nc4c9o1.C54=O.N15CC(F)(F)C[C@@H](C)C13.C73.N78.c18ncc6cn1.C6(F)(F)F.c19ccccc1 | [
495.169366044,
0.391304347826087,
7,
1,
4,
12,
35,
5,
0,
0,
1,
1,
1,
2,
3,
0,
1,
1
] |
O=C=NSS3.C32N=C=O.c12ccccc1 | [
237.987069432,
0.1111111111111111,
4,
0,
1,
6,
15,
5,
0,
0,
0,
0,
1,
0,
1,
0,
0,
0
] |
Cc1nn3c(C)c1[N+](=O)[O-].C3(C)C(O)=Nc1cc([N+](=O)[O-])ccc1Cl | [
367.068346228,
0.2857142857142857,
10,
1,
2,
11,
25,
5,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
CC(C)CC5O.c15ccccc13.N13CCN6CC1.C6(=O)[C@H]9C8.c18ccc(Cl)cc1Cl.N9%104.C%107.c17ccccn1.C4%11.c1%11ccccn1 | [
645.263730912,
0.3611111111111111,
7,
1,
5,
9,
45,
12,
0,
0,
1,
1,
2,
2,
4,
0,
1,
1
] |
Nc1ccc5cc1.[N+]154CCCC(O)C1.C14CCNCC1 | [
276.20703887209,
0.625,
4,
4,
3,
4,
20,
2,
0,
0,
2,
2,
1,
0,
1,
0,
2,
2
] |
CC(=O)C=5.C=5(C)C=6.C=6C=7.C=7(C)C=4.C=4C1=C(C)C3CCC1(C)C.n13ccnc1 | [
364.251463644,
0.4166666666666667,
3,
0,
2,
3,
27,
6,
0,
1,
0,
1,
0,
1,
1,
0,
0,
0
] |
CCP(=O)(N3N2.c13ccccc1.c12ccccc1 | [
260.107849794,
0.14285714285714285,
3,
2,
2,
4,
18,
5,
0,
0,
0,
0,
2,
0,
2,
0,
0,
0
] |
CC2.O32.C3(=O)CCC(C)N=C(O)c1ccc(F)cc1Cl | [
301.088099304,
0.42857142857142855,
4,
1,
1,
6,
20,
6,
0,
0,
0,
0,
1,
0,
1,
0,
0,
0
] |
OC(=NCCC3[C@@H]1CCCO1.c13nc2ccccc2n14.C45.c15ccccc1 | [
363.19467704,
0.36363636363636365,
5,
1,
4,
5,
27,
7,
0,
0,
1,
1,
2,
1,
3,
0,
1,
1
] |
Cn1cc6cn1.C86%10.N89.C9C7=O.N743.C45.c15ccccc1.C13CC1.c1%10ccc(F)cc1 | [
392.20123964000004,
0.30434782608695654,
5,
1,
4,
6,
29,
8,
0,
1,
0,
1,
2,
1,
3,
1,
0,
1
] |
CC1Oc2ccc(C(O)=N[C@@H]3C[C@H]4CC[C@@H](C3)N46cc2N=C1O.S6(=O)(=O)C5.C15CCN9CC1.C79=O.O7%10.C%108.c18ccccc1 | [
610.246120556,
0.5161290322580645,
11,
2,
6,
12,
43,
7,
0,
0,
4,
4,
2,
0,
2,
0,
3,
3
] |
NC6=O.c16ccc3cc1.C3N=C(O)c1cccnc14.N45.c15ccccc1F | [
364.133554004,
0.05,
6,
4,
3,
7,
27,
6,
0,
0,
0,
0,
2,
1,
3,
0,
0,
0
] |
CCCC2N=C(O)c1c[nH]c(C)cc1=NC.c12cccs1 | [
303.140533292,
0.375,
4,
2,
2,
5,
21,
5,
0,
0,
0,
0,
0,
2,
2,
0,
0,
0
] |
CC(C)C(C3C(C)C.N32.c12cc(F)c(I)cc1N | [
364.08117492400004,
0.5714285714285714,
2,
3,
1,
4,
18,
5,
0,
0,
0,
0,
1,
0,
1,
0,
0,
0
] |
Cc1ccc3cc1.C43CN=C(O)N(C)C.c14ccccn1 | [
283.168462292,
0.29411764705882354,
4,
1,
2,
4,
21,
4,
0,
0,
0,
0,
1,
1,
2,
0,
0,
0
] |
C=C1C=9C[C@@H](O)C[C@@H]1O.C=9C=5.C1=5CCC[C@]2(C)[C@@H]6CC[C@@H]12.C6(C)(C)C=4.C=4[C@@H](O)C(C)(C)C7=O.O78.C8(C)C | [
514.3658247,
0.71875,
5,
3,
3,
5,
37,
7,
0,
3,
0,
3,
0,
0,
0,
3,
0,
3
] |
Cc1nc5sc13.C15CC1.c13nc2cc4c(Cl)cc2[nH]1.C4(F)(F)F | [
357.031430692,
0.3333333333333333,
3,
1,
4,
8,
23,
2,
0,
1,
0,
1,
1,
2,
3,
1,
0,
1
] |
CC7.N678.C8C.C65=O.c15ccc(C=4c2cccc(N=C(O)c3cc(F)ccc3F)c2)cc1.C1=4CCNCC1 | [
503.238433672,
0.26666666666666666,
5,
2,
4,
7,
37,
7,
0,
0,
1,
1,
3,
0,
3,
0,
1,
1
] |
Cc1cc2cc3cc5c4ccccc4c3cc2cc1C.C5(C=O)C=O | [
326.130679816,
0.13043478260869565,
2,
0,
4,
2,
25,
3,
0,
0,
0,
0,
4,
0,
4,
0,
0,
0
] |
CCCCCCC=%13.C=%13C=2.C=2CCCCCCCC9=O.O94.C4[C@@H]3C%10.O%10P(=O)(O)O%14.C%14[C@@H](O)C8.O8P(=O)(O)O%11.C%11[C@H]1C5.O%125.C%12(=O)CCCCCCCCCCCCCC.O61.C6(=O)CCCCCCCCCCCCCC(C)C.O73.C7(=O)CCCCCCCCCCCCCCCCC(C)CC | [
1447.0504766639997,
0.9,
17,
3,
0,
19,
99,
77,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
COC(O)=NCCC2=O.N12CCCC1(C)C | [
228.1473925,
0.8181818181818182,
5,
1,
1,
5,
16,
3,
0,
0,
1,
1,
0,
0,
0,
0,
1,
1
] |
FC(F)(F)C4.O46.C6CC3.S38.c18nnnn15.C5C7.N72.C12CC1 | [
325.118415856,
0.9090909090909091,
6,
1,
2,
10,
21,
10,
0,
1,
0,
1,
0,
1,
1,
1,
0,
1
] |
Cc1ccc4cc1.C14CNCC12CCOCC2 | [
231.162314292,
0.6,
2,
1,
3,
2,
17,
1,
0,
0,
2,
2,
1,
0,
1,
0,
2,
2
] |
CN=C(N4N1.C4CC2.O23.C3C(C)C.C1(C)C | [
229.21541248399998,
0.9166666666666666,
4,
2,
0,
4,
16,
7,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
Clc1cc2ncc8nc2cc1Cl.N78.C76.c16ccc5cc1.C95.n19cncn1 | [
384.06569980800003,
0.1111111111111111,
6,
1,
4,
8,
26,
5,
0,
0,
0,
0,
2,
2,
4,
0,
0,
0
] |
O=C5C6.n16nnc2ccccc2c1=O.O53.C3C(O)=Nc1ccc(Cl)cc14.C4(F)(F)F | [
440.049917204,
0.16666666666666666,
8,
1,
3,
12,
30,
5,
0,
0,
0,
0,
2,
1,
3,
0,
0,
0
] |
O=C1CN=C(O)N14.C43.c13cccc(N=C(O)C2CCOCC2)c1 | [
317.137556088,
0.4375,
7,
2,
3,
7,
23,
4,
0,
0,
2,
2,
1,
0,
1,
0,
1,
1
] |
CC16CC1.C56.N53.C13CCCC4C1.C4(F)(F)F | [
235.1547843,
1,
1,
1,
2,
4,
16,
3,
0,
2,
0,
2,
0,
0,
0,
2,
0,
2
] |
OC(=N3c1cccc(I)c1.C13CCNC2(CCCCC2)C1 | [
398.08551135600004,
0.5882352941176471,
3,
2,
3,
4,
21,
2,
0,
1,
1,
2,
1,
0,
1,
1,
1,
2
] |
Cc1c(/N=C2\S[C@@H]6C(=O)N27c(=O)n5n1C.C6C(O)=Nc1ccc2ccccc2c1.[C@@H]17CCCC[C@@H]1C.c15ccccc1 | [
581.2460609799999,
0.3333333333333333,
8,
1,
6,
9,
42,
6,
0,
1,
1,
2,
3,
1,
4,
1,
1,
2
] |
C=CC9.O95.c15ccc6c(C)c1.c16nn%11cc1C=4.c1%11ccccc1.C1=4C(=O)N7C(=O)C(C#N)=C1C.C7CC%10.O8%10.C8(C)=O | [
550.22162006,
0.21875,
9,
0,
4,
9,
41,
10,
0,
0,
1,
1,
2,
1,
3,
0,
0,
0
] |
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